交我算平台用户致谢模板

The computations in this paper were run on the Siyuan-1 cluster supported by the Center for High Performance Computing at Shanghai Jiao Tong University.

The computations in this paper were run on the π 2.0 cluster supported by the Center for High Performance Computing at Shanghai Jiao Tong University.

2022 年交我算平台用户致谢论文

1. Ahmad H, Khan A, Umbreen S, Khan T, Xuewei Z, Wei DQ, et al. Structural and dynamic investigation of non-synonymous variations in Renin–AGT complex revealed altered binding via hydrogen-bonding network reprogramming to accelerate the hypertension pathway. Chemical Biology and Drug Design. 2022;100(5):730-46.

2. Ahmad I, Ali SS, Zafar B, Hashmi HF, Shah I, Khan S, et al. Development of multi-epitope subunit vaccine for protection against the norovirus’ infections based on computational vaccinology. Journal of Biomolecular Structure and Dynamics. 2022;40(7):3098-109.

3. Akiyama K, Alberdi A, Alef W, Algaba JC, Anantua R, Asada K, et al. First Sagittarius A* Event Horizon Telescope Results. III. Imaging of the Galactic Center Supermassive Black Hole. Astrophysical Journal Letters. 2022;930(2).

4. Akiyama K, Alberdi A, Alef W, Algaba JC, Anantua R, Asada K, et al. First Sagittarius A* Event Horizon Telescope Results. IV. Variability, Morphology, and Black Hole Mass. Astrophysical Journal Letters. 2022;930(2).

5. Akiyama K, Alberdi A, Alef W, Algaba JC, Anantua R, Asada K, et al. First Sagittarius A* Event Horizon Telescope Results. V. Testing Astrophysical Models of the Galactic Center Black Hole. Astrophysical Journal Letters. 2022;930(2).

6. Akiyama K, Alberdi A, Alef W, Algaba JC, Anantua R, Asada K, et al. First Sagittarius A* Event Horizon Telescope Results. VI. Testing the Black Hole Metric. Astrophysical Journal Letters. 2022;930(2).

7. Akiyama K, Alberdi A, Alef W, Algaba JC, Anantua R, Azulay R, et al. First Sagittarius A* Event Horizon Telescope Results. II. EHT and Multiwavelength Observations, Data Processing, and Calibration. Astrophysical Journal Letters. 2022;930(2).

8. Akiyama K, Alberdi A, Alef W, Algaba JC, Anantua R, Azulay R, et al. First Sagittarius A* Event Horizon Telescope Results. I. The Shadow of the Supermassive Black Hole in the Center of the Milky Way. Astrophysical Journal Letters. 2022;930(2).

9. An X, Chen M, Sheng ZM, Zhang J. Modeling of Bound Electron Effects in Particle-in-Cell Simulation. Communications in Computational Physics. 2022;32(2):583-94.

10. An X, Chen M, Weng S, Sheng Z, Zhang J. Bragg scattering induced laser deflection and electron injection in x-ray laser driven wakefield acceleration in crystals. Physical Review Research. 2022;4(4).

11. Bader SH, Yin Z, Durbin PA. Large Eddy Simulation of passive scalar transport in transitional boundary layer and development toward improving models. Computers and Fluids. 2022;241.

12. Broderick AE, Gold R, Georgiev B, Pesce DW, Tiede P, Ni C, et al. Characterizing and Mitigating Intraday Variability: Reconstructing Source Structure in Accreting Black Holes with mm-VLBI. Astrophysical Journal Letters. 2022;930(2).

13. Chen J, Liu H, Cui X, Li Z, Chen HF. RNA-Specific Force Field Optimization with CMAP and Reweighting. Journal of Chemical Information and Modeling. 2022;62(2):372-85.

14. Chen X, Shi J, Wang T, Zheng S, Lv W, Chen X, et al. High-Performance Wearable Sensor Inspired by the Neuron Conduction Mechanism through Gold-Induced Sulfur Vacancies. ACS Sensors. 2022;7(3):816-26.

15. Chen X, Wang T, Shi J, Lv W, Han Y, Zeng M, et al. A Novel Artificial Neuron-Like Gas Sensor Constructed from CuS Quantum Dots/Bi2S3 Nanosheets. Nano-Micro Letters. 2022;14(1).

16. Chu MH, Deng ZF, Hua J, Ji X, Schäfer A, Su Y, et al. Nonperturbative determination of the Collins-Soper kernel from quasitransverse-momentum-dependent wave functions. Physical Review D. 2022;106(3).

17. Chu Y, Zhang Y, Wang Q, Zhang L, Wang X, Wang Y, et al. A transformer-based model to predict peptide–HLA class I binding and optimize mutated peptides for vaccine design. Nature Machine Intelligence. 2022;4(3):300-11.

18. Cruz-Osorio A, Fromm CM, Mizuno Y, Nathanail A, Younsi Z, Porth O, et al. State-of-the-art energetic and morphological modelling of the launching site of the M87 jet. Nature Astronomy. 2022;6(1):103-8.

19. Cui X, Liu H, Chen HF. Polarizable Force Field of Intrinsically Disordered Proteins with CMAP and Reweighting Optimization. Journal of Chemical Information and Modeling. 2022;62(20):4970-82.

20. Deng Y, Zhang Q, Yue D, Wei W, Feng L, Cui Y, et al. Revisit of recombination processes of low-charge-state ion generation during picosecond intense laser-gas interaction. Physics of Plasmas. 2022;29(12).

21. Ding D, Chen H, Ma Z, Zhang B, Liu H. Heat flux estimation of the cylinder in hypersonic rarefied flow based on neural network surrogate model. AIP Advances. 2022;12(8).

22. Ding D, Wang Y, Zhang B, Liu H. Aero-optics of a three-dimensional sphere with real gas effects in the near space. Optical Engineering. 2022;61(5).

23. Dong L, Wei C, Xiong S, Yu P, Zhou R, Cheng L. Spliceosome inhibitor induces human hematopoietic progenitor cell reprogramming toward stemness. Experimental Hematology and Oncology. 2022;11(1).

24. Duan Y, Ren Z, Huang Z, Han D. Theoretical study on isomerization, decomposition and ring-closure reaction kinetics of methyl pentanoate radicals. Combustion and Flame. 2022;237.

25. Fan Y, Shen HS. Non-symmetric stiffness of origami-graphene metamaterial plates. Composite Structures. 2022;297.

26. Feng K, Wu Y, Hu J, Jin X, Gu H, Guo H. Preliminary analysis of a zirconium hydride moderated megawatt heat pipe reactor. Nuclear Engineering and Design. 2022;388.

27. Gao Z, Liang J, Xu Z. A Kernel-Independent Sum-of-Exponentials Method. Journal of Scientific Computing. 2022;93(2).

28. Geng PF, Chen M, Zhu XZ, Liu WY, Sheng ZM, Zhang J. Propagation of axiparabola-focused laser pulses in uniform plasmas. Physics of Plasmas. 2022;29(11).

29. Georgiev B, Pesce DW, Broderick AE, Wong GN, Dhruv V, Wielgus M, et al. A Universal Power-law Prescription for Variability from Synthetic Images of Black Hole Accretion Flows. Astrophysical Journal Letters. 2022;930(2).

30. Grangeiro MTV, Rodrigues CDS, Rossi NR, da Silva JMD, Ramos NDC, Tribst JPM, et al. Effect of Surface-Etching Treatment, Glaze, and the Antagonist on Roughness of a Hybrid Ceramic after Two-Body Wear. Materials. 2022;15(19).

31. Guan C, Ouyang R, Zhu H, Xie Y. Theoretical inspection of TM-P4C single-atom electrocatalysts: High performance for oxygen reduction and evolution reactions. Electrochimica Acta. 2022;427.

32. Guo H, Huo X, Feng K, Gu H. Verification of OpenMC for fast reactor physics analysis with China experimental fast reactor start-up tests. Nuclear Engineering and Technology. 2022;54(10):3897-908.

33. Guo H, Jin X, Huo X, Gu H, Wu H. Influence of nuclear data library on neutronics benchmark of China experimental fast reactor start-up tests. Nuclear Engineering and Technology. 2022;54(10):3888-96.

34. Guo H, Peng X, Wu Y, Jin X, Feng K, Gu H. Neutronics modelling of control rod compensation operation in small modular fast reactor using OpenMC. Nuclear Engineering and Technology. 2022;54(3):803-10.

35. Guo H, Wu Y, Jin X, Feng K, Huo X, Gu H. Preliminary verification of multi-group cross-sections generation and locally heterogeneous transport calculation using OpenMC with CEFR start-up tests benchmark. Progress in Nuclear Energy. 2022;154.

36. He Y, He G, Yu B, Yan S, Xie L. Study of the Hydrodynamic Characteristics of Non-Newtonian Polymer Solution Fluid in Concentric Annulus Using Computational Fluid Dynamics Methods. Macromolecular Reaction Engineering. 2022;16(1).

37. He Y, Sun H. Mechanical strength and band alignment of BAs/GaN heterojunction polar interfaces: A first-principles calculation study. Physical Review Materials. 2022;6(3).

38. Hu S, Zhao CY, Gu X. Impact of thermostat on interfacial thermal conductance prediction from non-equilibrium molecular dynamics simulations. Chinese Physics B. 2022;31(5).

39. Hu Y, Shen Y, Bao H. Ultra-efficient and parameter-free computation of submicron thermal transport with phonon Boltzmann transport equation. Fundamental Research. 2022.

40. Hua J, Chu MH, He FC, He JC, Ji X, Schäfer A, et al. Pion and Kaon Distribution Amplitudes from Lattice QCD. Physical Review Letters. 2022;129(13).

41. Hua J, Chu MH, Sun P, Wang W, Xu J, Yang YB, et al., editors. Distribution Amplitudes of K∗ and φ from Lattice QCD (Lattice Parton Collaboration (LPC)).

42. Huang J, Weng SM, Wang X, Zhong JY, Zhu XL, Li XF, et al. Ion Acoustic Shock Wave Formation and Ion Acceleration in the Interactions of Pair Jets with Electron-ion Plasmas. Astrophysical Journal. 2022;931(1).

43. Huang Q, Lee GY, Li J, Wang C, Zhao RL, Deng Z, et al. Origin of iodine preferential attack at sulfur in phosphorothioate and subsequent P-O or P-S bond dissociation. Proceedings of the National Academy of Sciences of the United States of America. 2022;119(17).

44. Huang X, Ma S, Wang H, Lin S, Zhao CY, Wang H, et al. Enhancing thermoelectric properties of isotope graphene nanoribbons via machine learning guided manipulation of disordered antidots and interfaces. International Journal of Heat and Mass Transfer. 2022;197.

45. Humayun F, Cai Y, Khan A, Farhan SA, Khan F, Rana UI, et al. Structure-guided design of multi-epitopes vaccine against variants of concern (VOCs) of SARS-CoV-2 and validation through In silico cloning and immune simulations. Computers in Biology and Medicine. 2022;140.

46. Jiang H, Efimov D, He F, Prauzner-Bechcicki JS. Dalitz plots as a tool to resolve nonsequential paths in strong-field triple ionization. Physical Review A. 2022;105(5).

47. Jiang K, Peng P, Tranca D, Tong G, Ke C, Lu C, et al. Covalent Triazine Frameworks and Porous Carbons: Perspective from an Azulene-Based Case. Macromolecular Rapid Communications. 2022;43(20).

48. Jiang Y, Chen HF. Performance evaluation of the balanced force field ff03CMAP for intrinsically disordered and ordered proteins. Physical Chemistry Chemical Physics. 2022;24(48):29870-81.

49. Jin J, Zhou YN, Luo ZH. Kinetic modeling of simultaneous polycondensation and free radical polymerization for polyurethane/poly(methyl methacrylate) interpenetrating polymer network. AIChE Journal. 2022;68(11).

50. Khan A, Li W, Ambreen A, Wei DQ, Wang Y, Mao Y. A protein coupling and molecular simulation analysis of the clinical mutants of androgen receptor revealed a higher binding for Leupaxin, to increase the prostate cancer invasion and motility. Computers in Biology and Medicine. 2022;146.

51. Khan A, Mao Y, Tahreem S, Wei DQ, Wang Y. Structural and molecular insights into the mechanism of resistance to enzalutamide by the clinical mutants in androgen receptor (AR) in castration-resistant prostate cancer (CRPC) patients. International Journal of Biological Macromolecules. 2022;218:856-65.

52. Khan A, Nawaz M, Ullah S, Rehman IU, Khan A, Saleem S, et al. Core amino acid substitutions in HCV-3a isolates from Pakistan and opportunities for multi-epitopic vaccines. Journal of Biomolecular Structure and Dynamics. 2022;40(8):3753-68.

53. Khan A, Shan S, Toor TF, Suleman M, Wang Y, Zhou J, et al. Repositioning of experimentally validated anti-breast cancer peptides to target FAK-PAX complex to halt the breast cancer progression: a biomolecular simulation approach. Molecular Diversity. 2022.

54. Khan S, Ali SS, Zaheer I, Saleem S, Ziaullah, Zaman N, et al. Proteome-wide mapping and reverse vaccinology-based B and T cell multi-epitope subunit vaccine designing for immune response reinforcement against Porphyromonas gingivalis. Journal of Biomolecular Structure and Dynamics. 2022;40(2):833-47.

55. Khan S, Hussain Z, Safdar M, Khan A, Wei DQ. Targeting the N-terminal domain of the RNA-binding protein of the SARS-CoV-2 with high affinity natural compounds to abrogate the protein-RNA interaction: a molecular dynamics study. Journal of Biomolecular Structure and Dynamics. 2022;40(14):6286-94.

56. Khan T, Muzaffar A, Shoaib RM, Khan A, Waheed Y, Wei DQ. Towards specie-specific ensemble vaccine candidates against mammarenaviruses using optimized structural vaccinology pipeline and molecular modelling approaches. Microbial Pathogenesis. 2022;172.

57. Khan T, Suleman M, Ali SS, Sarwar MF, Ali I, Ali L, et al. Subtractive proteomics assisted therapeutic targets mining and designing ensemble vaccine against Candida auris for immune response induction. Computers in Biology and Medicine. 2022;145.

58. Kong L, He R, Yang H, Xing W, Zhang X, Zhang Y, et al. In Situ Surface PtCu Alloying on Delafossite-type CuAlO2as Electrocatalyst for Enhanced Methanol Oxidation. Journal of the Electrochemical Society. 2022;169(7).

59. Kong L, Xu S, Liu H, Wu X, Tu X, Bo M, et al. Hybridized Ag-CuCrO2Nanostructured Composites for Enhanced Gas Sensing. ACS Applied Nano Materials. 2022;5(9):12690-8.

60. Lad AD, Mishima Y, Singh PK, Li B, Adak A, Chatterjee G, et al. Luminous, relativistic, directional electron bunches from an intense laser driven grating plasma. Scientific Reports. 2022;12(1).

61. Lai S, Xu C, Davy M, Fang X. Flame acceleration and transition to detonation in a pre-/main-chamber combustion system. Physics of Fluids. 2022;34(11).

62. Li BY, Liu F, Chen M, Wu FY, Wang JW, Lu L, et al. Experimental Demonstration of Efficient Harmonic Generation via Surface Plasma Compression with Lasers. Physical Review Letters. 2022;128(24).

63. Li CD, Junaid M, Shan X, Wang Y, Wang X, Khan A, et al. Effect of Cholesterol on C99 Dimerization: Revealed by Molecular Dynamics Simulations. Frontiers in Molecular Biosciences. 2022;9.

64. Li D, Wang C, Wang S, Mehmood A, Gu J, Cheng X, et al. Discovery of a Natural Product with Potent Efficacy Against SARS-CoV-2 by Drug Screening. Interdisciplinary Sciences – Computational Life Sciences. 2022;14(1):55-63.

65. Li G, Jiang S, Meng J, Chai G, Wu Z, Fan Z, et al. Assessing differential representation of hand movements in multiple domains using stereo-electroencephalographic recordings: Neural representation evaluation of hand movements. NeuroImage. 2022;250.

66. Li G, Wang F. A multiple instance solver framework based on dynamic overset grid method for flow field simulation of array configuration with moving components. Journal of Computational Physics. 2022;448.

67. Li G, Xu W, Li Y, Wang F. Univariate analysis of scaling effects on the aerodynamics of vertical axis wind turbines based on high-resolution numerical simulations: The Reynolds number effects. Journal of Wind Engineering and Industrial Aerodynamics. 2022;223.

68. Li G, Xu X, Dinkel H, Wu M, Yu K, editors. CATEGORY-ADAPTED SOUND EVENT ENHANCEMENT WITH WEAKLY LABELED DATA.

69. Li G, Xu X, Wu M, Yu K, editors. NAVIGATING AUDIO-VISUAL EVENT DETECTION ACROSS MISMATCHED MODALITIES.

70. Li J, Wan H, Zhang H, Wang XL, Liu G, Wu G, et al. Molecular recognition between bacterial phosphorothioate DNA and sulfur-binding domain (SBD): competition between the water cage and chalcogen-hydrophobic packet. Physical Chemistry Chemical Physics. 2022;24(16):9176-87.

71. Li J, Xie J, Godec A, Weninger KR, Liu C, Smith JC, et al. Non-ergodicity of a globular protein extending beyond its functional timescale. Chemical Science. 2022;13(33):9668-77.

72. Li N, Jiang K, Rodríguez-Hernández F, Mao H, Han S, Fu X, et al. Polyarylether-Based 2D Covalent-Organic Frameworks with In-Plane D–A Structures and Tunable Energy Levels for Energy Storage. Advanced Science. 2022;9(6).

73. Li S, Tan P, Li J, Tang M, Hong L. Many-body effect renders universal subdiffusion to water on different proteins. Physical Review Research. 2022;4(2).

74. Li Z, Mu J, Chen J, Chen HF. Base-specific RNA force field improving the dynamics conformation of nucleotide. International Journal of Biological Macromolecules. 2022;222:680-90.

75. Liang J, Tan P, Hong L, Jin S, Xu Z, Li L. A random batch Ewald method for charged particles in the isothermal-isobaric ensemble. Journal of Chemical Physics. 2022;157(14).

76. Liang J, Tan P, Zhao Y, Li L, Jin S, Hong L, et al. Superscalability of the random batch Ewald method. Journal of Chemical Physics. 2022;156(1).

77. Liang J, Xu Z, Zhao Y. Improved Random Batch Ewald Method in Molecular Dynamics Simulations. Journal of Physical Chemistry A. 2022;126(22):3583-93.

78. Liang J, Yuan J, Xu Z. HSMA: An O(N) electrostatics package implemented in LAMMPS. Computer Physics Communications. 2022;276.

79. Liao J, Zhu L, Luo Z. Heterogeneity analysis of gas–solid flow hydrodynamics in a pilot-scale fluidized bed reactor. Chinese Journal of Chemical Engineering. 2022;50:117-29.

80. Lin S, Wang Y, Zhang L, Chu Y, Liu Y, Fang Y, et al. MDF-SA-DDI: Predicting drug-drug interaction events based on multi-source drug fusion, multi-source feature fusion and transformer self-attention mechanism. Briefings in Bioinformatics. 2022;23(1).

81. Lin S, Zhang G, Wei DQ, Xiong Y. DeepPSE: Prediction of polypharmacy side effects by fusing deep representation of drug pairs and attention mechanism. Computers in Biology and Medicine. 2022;149.

82. Liu H, Xie M, Yu B, Zhang B, Liu H. Temperature Oscillation Phenomenon in the Shock-bubble Interface. Journal of Aeronautics, Astronautics and Aviation. 2022;54(1):1-12.

83. Liu H, Yin Z, Xie W, Zhang B, Le J, Liu H. Numerical and Analytical Assessment of Finite Rate Chemistry Models for LES of Turbulent Premixed Flames. Flow, Turbulence and Combustion. 2022;109(2):435-58.

84. Liu H, Yu B, Zhang B, Xiang Y. On mixing enhancement by secondary baroclinic vorticity in a shock-bubble interaction. Journal of Fluid Mechanics. 2022;931.

85. Liu J, Yang X, Jiang X, Jiang X. Pyrolysis mechanisms of coal extracts based on TG-FTIR and ReaxFF MD study. Fuel Processing Technology. 2022;227.

86. Liu M, Li J, Rehman AU, Luo S, Wang Y, Wei H, et al. Sensitivity of family GH11 Bacillus amyloliquefaciens xylanase A (BaxA) and the T33I mutant to Oryza sativa xylanase inhibitor protein (OsXIP): An experimental and computational study. Enzyme and Microbial Technology. 2022;156.

87. Liu R, Liu Z. Self-pumping ultra-thin film evaporation on CNT-embedded silicon nitride nanopore membrane. Nano Research. 2022;15(3):1725-9.

88. Liu R, Wang J, Wang L, Zeng X, Jin Z. Cluster Hardening Effects on Twinning in Mg-Zn-Ca Alloys. Metals. 2022;12(4).

89. Liu T, Rao J, Hu W, Cui B, Cai J, Liu Y, et al. Distinct genomic landscape of Chinese pediatric acute myeloid leukemia impacts clinical risk classification. Nature Communications. 2022;13(1).

90. Liu Y, Zhang Z, Ji M, Hu A, Wang J, Jing H, et al. Comparison of prokaryotes between Mount Everest and the Mariana Trench. Microbiome. 2022;10(1).

91. Lodhi MS, Shaheen A, Khan MT, Shafiq MI, Samra ZQ, Wei DQ. A novel method of affinity purification and characterization of polygalacturonase of Aspergillus flavus by galacturonic acid engineered magnetic nanoparticle. Food Chemistry. 2022;372.

92. Lou S, Xu X, Wu M, Yu K, editors. AUDIO-TEXT RETRIEVAL IN CONTEXT.

93. Luo L, Fu C, Guo Y, Kang Q, Wu A, Cai X, et al. Electronic and Potential Synergistic Effects of Surface-Doped P-O Species on Uniform Pd Nanospheres: Breaking the Linear Scaling Relationship toward Electrochemical Oxygen Reduction. ACS Applied Materials and Interfaces. 2022;14(12):14146-56.

94. Luo L, Fu C, Wu A, Zhuang Z, Zhu F, Jiang F, et al. Hydrogen-assisted scalable preparation of ultrathin Pt shells onto surfactant-free and uniform Pd nanoparticles for highly efficient oxygen reduction reaction in practical fuel cells. Nano Research. 2022;15(3):1892-900.

95. Luo S, Liu L, Lyu CJ, Sim B, Liu Y, Gong H, et al. Understanding the effectiveness of enzyme pre-reaction state by a quantum-based machine learning model. Cell Reports Physical Science. 2022;3(11).

96. Lyu B, Jing L, Meng X, Liu R. Texture Optimization and Verification for the Thrust Bearing Used in Rotary Compressors Based on a Transient Tribo-Dynamics Model. Journal of Tribology. 2022;144(8).

97. Mehmood A, Nawab S, Jin Y, Kaushik AC, Wei DQ. Mutational Impacts on the N and C Terminal Domains of the MUC5B Protein: A Transcriptomics and Structural Biology Study. ACS Omega. 2022.

98. Pan DT, Yan WC, Luo ZH. Solid-liquid equilibrium of 3,3-dilauryl thiodipropionate/lauryl alcohol in melt crystallization and model based process design. Chemical Engineering Science. 2022;248.

99. Pan DT, Zhang XB, Luo ZH. Continuous crystallization of levamisole hydrochloride in a segmented flow crystallizer. Chemical Engineering Research and Design. 2022;188:229-37.

100. Pan L, Jiang K, Zhai G, Ji H, Li N, Zhu J, et al. A Novel 2D Conjugated Coordination Framework with a Narrow Bandgap for Micro-Supercapacitors. Energy Technology. 2022;10(5).

101. Pan W, Liu Z, Song W, Zhen X, Yuan K, Xu F, et al. An Integrative Segmentation Framework for Cell Nucleus of Fluorescence Microscopy. Genes. 2022;13(3).

102. Peng J, Sun W, Han H, Xie L, Xiao Y. Investigation of the Role of Impeller Structural Parameters on Liquid-Liquid Mixing Characteristics in Stirred Tanks. ACS Omega. 2022;7(43):38700-8.

103. Peng J, Yu B, Yan S, Xie L. CFD Modeling and Simulation of the Axial Dispersion Characteristics of a Fixed-Bed Reactor. ACS Omega. 2022;7(30):26455-64.

104. Rahman MU, Song K, Da LT, Chen HF. Early aggregation mechanism of Aβ16−22 revealed by Markov state models. International Journal of Biological Macromolecules. 2022;204:606-16.

105. Rao Y, Zhao CY, Ju S. High thermoelectric performance in metastable phase of silicon: A first-principles study. Applied Physics Letters. 2022;120(16).

106. Sha W, Dai X, Chen S, Guo F. Phonon thermal transport in graphene/h-BN superlattice monolayers. Diamond and Related Materials. 2022;129.

107. Sha W, Guo F. Thermal transport in two-dimensional carbon nitrides: A comparative molecular dynamics study. Carbon Trends. 2022;7.

108. Shah A, Rehmat S, Aslam I, Suleman M, Batool F, Aziz A, et al. Comparative mutational analysis of SARS-CoV-2 isolates from Pakistan and structural-functional implications using computational modelling and simulation approaches. Computers in Biology and Medicine. 2022;141.

109. Shah I, Jamil S, Rehmat S, Butt HA, Ali SS, Idrees M, et al. Evaluation and identification of essential therapeutic proteins and vaccinomics approach towards multi-epitopes vaccine designing against Legionella pneumophila for immune response instigation. Computers in Biology and Medicine. 2022;143.

110. Shan W, Du J, Luo W. Magnetic Interactions and Band Gaps of the (CrO2)2/(MgH2)n Superlattices. Chinese Physics Letters. 2022;39(11).

111. Shan W, Luo W. Charge transfer and metal-insulator transition in (CrO2)m/(TaO2)nsuperlattices. Journal of Physics Condensed Matter. 2022;34(38).

112. Sheikh IR, Wani KMNS, Jalal FE, Shah MY. An Investigation on the Behaviour of Geosynthetic Reinforced Quarry Waste Bases (QWB) Under Vertical loading. Environmental Science and Pollution Research. 2022;29(28):43385-400.

113. Shen J, Zhao Q, Ying Q, Cheng Z, Xu J, Zhang H, et al. An explainable integrated optimization methodology for source apportionment of ambient particulate matter components. Journal of Environmental Management. 2022;310.

114. Shen Z, Zhang J, Li H, Wang H, Wei C, Li G, et al. Tolerance For the Pixelation Effect in Shear Measurement. Astronomical Journal. 2022;164(5).

115. Sheng Y, Hu Y, Fan Z, Bao H. Size effect and transient phonon transport mechanism in approach-to-equilibrium molecular dynamics simulations. Physical Review B. 2022;105(7).

116. Shi Y, Li JJ, Wang Q, Jia Q, Yan F, Luo ZH, et al. Computer-aided estimation of kinetic rate constant for degradation of volatile organic compounds by hydroxyl radical: An improved model using quantum chemical and norm descriptors. Chemical Engineering Science. 2022;248.

117. Shi Y, Yu M, Liu J, Yan F, Luo ZH, Zhou YN. Quantitative Structure-Property Relationship Model for Predicting the Propagation Rate Coefficient in Free-Radical Polymerization. Macromolecules. 2022;55(21):9397-410.

118. Sobhi S, Nabhani M, Zarbane K, El Khlifi M. Cavitation in oscillatory porous squeeze film: a numerical approach. Industrial Lubrication and Tribology. 2022;74(6):636-44.

119. Song H, Liu Y, Tan Y, Zhang Y, Jin W, Chen L, et al. Recurrent noncoding somatic and germline WT1 variants converge to disrupt MYB binding in acute promyelocytic leukemia. Blood. 2022;140(10):1132-44.

120. Stalin A, Lin D, Senthamarai Kannan B, Feng Y, Wang Y, Zhao W, et al. An in-silico approach to identify the potential hot spots in SARS-CoV-2 spike RBD to block the interaction with ACE2 receptor. Journal of Biomolecular Structure and Dynamics. 2022;40(16):7408-23.

121. Tao F, Tang H, Zhang S, Li M, Xu P. Enabling QTY Server for Designing Water-Soluble a-Helical Transmembrane Proteins. mBio. 2022;13(1).

122. Tian Y, Ren F, Chen F. Twin-boundary-spacing-dependent strength in gradient nano-grained copper. Materials Today Communications. 2022;33.

123. Wang A, Li S, Zhang X, Bao H. Roles of electrons on the thermal transport of 2D metallic MXenes. Physical Review Materials. 2022;6(1).

124. Wang J, Bai J, Zhang Y, Li L, Zhou C, Zhou T, et al. Unconventional Substitution for BiVO4 to Enhance Photoelectrocatalytic Performance by Accelerating Polaron Hopping. ACS Applied Materials and Interfaces. 2022.

125. Wang J, Li D, Chen L, Cao W, Kong L, Zhang W, et al. Catalytic trajectory of a dimeric nonribosomal peptide synthetase subunit with an inserted epimerase domain. Nature Communications. 2022;13(1).

126. Wang J, Yang X, Zhang J, Li H, Fong M, Xu H, et al. Halo Properties and Mass Functions of Groups/Clusters from the DESI Legacy Imaging Surveys DR9. Astrophysical Journal. 2022;936(2).

127. Wang J, Zhou T, Zhang Y, Li L, Zhou C, Bai J, et al. Type-II Heterojunction CdIn2S4/BiVO4Coupling with CQDs to Improve PEC Water Splitting Performance Synergistically. ACS Applied Materials and Interfaces. 2022;14(40):45392-402.

128. Wang JP, Zhang ZH, He F. Single-photon induced symmetry breaking of the electron localization and photoelectron directional emission in the dissociative ionization of H2. New Journal of Physics. 2022;24(9).

129. Wang L, Niedermayer U, Ma J, Liu W, Zhang D, Qian L. Spatio-temporal coupling controlled laser for electron acceleration. Communications Physics. 2022;5(1).

130. Wang L, Xi K, Zhu L, Da LT. DNA Deformation Exerted by Regulatory DNA-Binding Motifs in Human Alkyladenine DNA Glycosylase Promotes Base Flipping. Journal of Chemical Information and Modeling. 2022;62(13):3213-26.

131. Wang W, Gardi G, Malgaretti P, Kishore V, Koens L, Son D, et al. Order and information in the patterns of spinning magnetic micro-disks at the air-water interface. Science Advances. 2022;8(2).

132. Wang W, Zhu L, Li Z, Chen Y, Han J, He F, et al. Is the Core-cusp Problem a Matter of Perspective? Jeans Anisotropic Modeling against Numerical Simulations. Astrophysical Journal. 2022;941(2).

133. Wang Y, Mikkola T, Hirdaris S. A fast and storage-saving method for direct volumetric integration of FWH acoustic analogy. Ocean Engineering. 2022;261.

134. Wang Y, Xie T, Tang Q, Wang M, Ying T, Zhu H, et al. High-throughput calculations combining machine learning to investigate the corrosion properties of binary Mg alloys. Journal of Magnesium and Alloys. 2022.

135. Wei A, Ye H, Guo F. Structure-dependent mechanical properties of self-folded two-dimensional nanomaterials. Physical Chemistry Chemical Physics. 2022;24(27):16774-83.

136. Wei H, Hu Y, Bao H, Ruan X. Quantifying the diverse wave effects in thermal transport of nanoporous graphene. Carbon. 2022;197:18-26.

137. Wei HL, Zhang XB, Luo ZH. Continuous Synthesis of 5-Oxohexanenitrile in a Microreactor: From Kinetic Study to Reactor Modeling. Industrial and Engineering Chemistry Research. 2022;61(41):15215-24.

138. Wielgus M, Marchili N, Martí-Vidal I, Keating GK, Ramakrishnan V, Tiede P, et al. Millimeter Light Curves of Sagittarius A* Observed during the 2017 Event Horizon Telescope Campaign. Astrophysical Journal Letters. 2022;930(2).

139. Wu BQ, Kong LT, Li JF. Composition dependence in glass-forming ability of Cu–Ag binary alloys. Acta Materialia. 2022;235.

140. Wu BQ, Kong LT, Liu W, Yang L, Li JF. Pressure effects on the dynamics and glass formation of Cu-Ag eutectic melt. Journal of Non-Crystalline Solids. 2022;594.

141. Wu YY, Figueira FL, Edeleva M, Van Steenberge PHM, D'Hooge DR, Zhou YN, et al. Cost-efficient modeling of distributed molar mass and topological variations in graft copolymer synthesis by upgrading the method of moments. AIChE Journal. 2022;68(4).

142. Xiao M, Yang G, Huang Y, Wu J. Evaluation of different interface-capturing methods for cryogenic two-phase flows under microgravity. Physics of Fluids. 2022;34(11).

143. Xing B, Li D, Zhang B, Liu H. Aero-optical Effects of the Forward-facing Step for Supersonic Aircraft. Journal of Aeronautics, Astronautics and Aviation. 2022;54(2):121-30.

144. Xu H, Song K, Da LT. Dynamics of peptide loading into major histocompatibility complex class I molecules chaperoned by TAPBPR. Physical Chemistry Chemical Physics. 2022;24(20):12397-409.

145. Xu J, Xu Z, Ouyang R, Zhu H. The stability and electronic structures of Li2MnO3 in highly charged states. Journal of Materials Research. 2022;37(19):3297-307.

146. Xu JZ, Zhang HR, Cheng Z, Liu JY, Xu YY, Wang YC. Approximating Three-Dimensional (3-D) Transport of Atmospheric Pollutants via Deep Learning. Earth and Space Science. 2022;9(7).

147. Xu X, Wu M, Yu K, editors. DIVERSITY-CONTROLLABLE AND ACCURATE AUDIO CAPTIONING BASED ON NEURAL CONDITION.

148. Xu X, Zhang W, Guo M, Xiao C, Fu Z, Yu S, et al. Integrated analysis of gut microbiome and host immune responses in COVID-19. Frontiers of Medicine. 2022;16(2):263-75.

149. Yang G, Liu L, Yi J, Kong L, Li J. Short to medium range order and atomic dynamic property within the surface of nanoscale metallic glasses revealed by molecular dynamics simulations. Journal of Non-Crystalline Solids. 2022;578.

150. Yang G, Liu L, Yi J, Li J, Kong L. Outside-in disintegration of medium-range order in nano metallic glasses during torsion deformation revealed by molecular dynamics simulations. Journal of Non-Crystalline Solids. 2022;595.

151. Yang JS, Lu K, Li CX, Zhao ZH, Zhang XM, Zhang FM, et al. Chiral 1,2,3-Triazolium Salt Catalyzed Asymmetric Mono- and Dialkylation of 2,5-Diketopiperazines with the Construction of Tetrasubstituted Carbon Centers. Angewandte Chemie - International Edition. 2022;61(9).

152. Yang Q, Jian X, Syed AAS, Fahira A, Zheng C, Zhu Z, et al. Structural Comparison and Drug Screening of Spike Proteins of Ten SARS-CoV-2 Variants. Research. 2022;2022.

153. Yang YN, Zhou YN, Ouyang B, Wu YY, Zhang XB, Luo ZH. Influence of thermal runaway in styrene–acrylonitrile bulk copolymerization revealed by computational fluid dynamics modeling. AIChE Journal. 2022;68(5).

154. Yang YN, Zhu CX, Zhou YN, Luo ZH. Deterministic modeling of non-adiabatic solution radical polymerization of n-butyl acrylate in light of runaway prevention. Chemical Engineering Journal. 2022;450.

155. Yang Z, Jiang K, Tong G, Ke C, Wu H, Liu P, et al. Copper-involved highly efficient oxygen reduction reaction in both alkaline and acidic media. Chemical Engineering Journal. 2022;437.

156. Yao Y, Ren G, Yu Y, Che J, Liang T, Li L, et al. Thermal conduction mechanism of ferroelastic Zr-Y-Yb-Ta-Nb-O high-entropy oxides with glass-like thermal conductivity. Journal of the American Ceramic Society. 2022;105(6):4360-74.

157. Yin Z, Durbin PA. Detached Eddy Simulation of Transition in Turbomachinery: Linear Compressor Cascade. Journal of Turbomachinery. 2022;144(3).

158. Yu B, Li L, Xu H, Zhang B, Liu H. Effects of Reynolds number and Schmidt number on variable density mixing in shock bubble interaction. Acta Mechanica Sinica/Lixue Xuebao. 2022;38(6).

159. Yu D, Han Z, Zhang B, Zhang M, Liu H, Chen Y. A multi-autoencoder fusion network for fast image prediction of aircraft ice accretion. Physics of Fluids. 2022;34(7).

160. Yu Q, Lu W, Li D, Shi T. Insight into substrate-assisted catalytic mechanism and stereoselectivity of bifunctional nocardicin thioesterase. Proteins: Structure, Function and Bioinformatics. 2022;90(12):2035-44.

161. Yu Q, Xie L, Li Y, Bai L, Zhao YL, Wei D, et al. Exploring the Molecular Basis of Substrate and Product Selectivities of Nocardicin Bifunctional Thioesterase. Interdisciplinary Sciences – Computational Life Sciences. 2022;14(1):233-44.

162. Yu Y, Zhang Z, Dong X, Yang R, Duan Z, Xiang Z, et al. Pangenomic analysis of Chinese gastric cancer. Nature Communications. 2022;13(1).

163. Zha S, O'Connor E. Impact of rotation on the multimessenger signatures of a hadron-quark phase transition in core-collapse supernovae. Physical Review D. 2022;106(12).

164. Zhang B, Liu H, Yu B, Wang Z, He M, Liu H. Numerical Investigation on Combustion-Enhancement Strategy in Shock–Fuel Jet Interaction. AIAA Journal. 2022;60(1):393-410.

165. Zhang C, Wen M, Zhang B, Lin J, Liu H. A load-decoupling parallel strategy based on shared memory architecture for DSMC to simulate near-continuum gases. Computer Physics Communications. 2022;279.

166. Zhang H, Wei H, Bao H. Thermal Transport Mechanism of Amorphous HfO2: A Molecular Dynamics Based Study. Journal of Thermal Science. 2022;31(4):1052-60.

167. Zhang J, Liu C, Vaquero PA, Li H, Wang H, Shen Z, et al. Shear Measurement with Poorly Resolved Images. Astronomical Journal. 2022;164(4).

168. Zhang M, Zhang H, Li Z, Bai L, Wang Q, Li J, et al. Functional, structural, and molecular characterizations of the leukemogenic driver MEF2D-HNRNPUL1 fusion. Blood. 2022;140(12):1390-407.

169. Zhang S, Wang L, Zhu G, Diehl M, Maldar A, Shang X, et al. Predicting grain boundary damage by machine learning. International Journal of Plasticity. 2022;150.

170. Zhang T, Yi Y, Xu Y, Chen ZX, Zhang Y, E W, et al. A multi-scale sampling method for accurate and robust deep neural network to predict combustion chemical kinetics. Combustion and Flame. 2022;245.

171. Zhang W, Xu X, Fu Z, Chen J, Chen S, Tan Y. PathogenTrack and Yeskit: tools for identifying intracellular pathogens from single-cell RNA-sequencing datasets as illustrated by application to COVID-19. Frontiers of Medicine. 2022;16(2):251-62.

172. Zhang X, Li S, Wang A, Bao H. Pressure-dependent thermal conductivity in Al, W, and Pt: Role of electrons and phonons. Physical Review B. 2022;106(9).

173. Zhang Y, Zhu W. Multi-functionalization of manipulative optoelectronic devices by enhanced plasmonic coupling of graphene-based hybrid asymmetrical system. Applied Surface Science. 2022;578.

174. Zhang ZD, Tan ML, Lan ZC, Liu HC, Pei L, Yu WX. CDNet: a real-time and robust crosswalk detection network on Jetson nano based on YOLOv5. Neural Computing and Applications. 2022;34(13):10719-30.

175. Zhang ZH, He F. Real-time calibration of nuclear velocities in the dissociation of heteronuclear molecules in strong laser fields. Physical Review A. 2022;105(4).

176. Zhao C, Wang S, Wang K. Mutual exclusivity between the fusion gene CBFB::MYH11 and somatic mitochondrial mutations in acute myeloid leukaemia. British Journal of Haematology. 2022;199(4):e25-e9.

177. Zhao D, Hernández Pérez FE, Guo C, Im HG, Wang L. Near wall effects on the premixed head-on hydrogen/air flame. Combustion and Flame. 2022;244.

178. Zhao W, Ma J, Zhao L, Hou R, Qiu L, Fu X, et al. PUNDIT: Pulmonary nodule detection with image category transformation. Medical Physics. 2022.

179. Zhao W, Zhong B, Zheng L, Tan P, Wang Y, Leng H, et al. Proteome-wide 3D structure prediction provides insights into the ancestral metabolism of ancient archaea and bacteria. Nature Communications. 2022;13(1).

180. Zhao Y, Song W, editors. Improved Pressure Gradient Estimation for Airfoil Trailing Edge Noise Prediction Using Cartesian Grid-based RANS Method.

181. Zheng H, Li G, Liu J, Wu S, Zhang X, Wu Y, et al. A rational design of garnet-type Li7La3Zr2O12 with ultrahigh moisture stability. Energy Storage Materials. 2022;49:278-90.

182. Zheng H, Li G, Ouyang R, Han Y, Zhu H, Wu Y, et al. Origin of Lithiophilicity of Lithium Garnets: Compositing or Cleaning? Advanced Functional Materials. 2022;32(41).

183. Zhong B, Song G, Chen HF. Balanced Force Field ff03CMAP Improving the Dynamics Conformation Sampling of Phosphorylation Site. International Journal of Molecular Sciences. 2022;23(19).

184. Zhong B, Su X, Wen M, Zuo S, Hong L, Lin J, editors. ParaFold: Paralleling AlphaFold for Large-Scale Predictions.

185. Zhou X, Xie J, Li G, Zhang J, Xia M, Luo W, et al. Moiré-induced band-gap opening in one-dimensional superlattices of carbon nanotubes on hexagonal boron nitride. Physical Review B. 2022;105(11).

186. Zhou Y, Wu D, Luo G, Hu Y, Qin Y. Efficient modeling of metal ablation irradiated by femtosecond laser via simplified two-temperature model coupling molecular dynamics. Journal of Manufacturing Processes. 2022;77:783-93.

187. Zhu CX, Wu YY, Figueira FL, Van Steenberge PHM, D'Hooge DR, Zhou YN, et al. Sensitivity analysis of isothermal free radical induced grafting through application of the distribution - Numerical fractionation - Method of moments. Chemical Engineering Journal. 2022;444.

188. Zhu D, Guo J, Yu G, Zhao CY, Wang H, Ju S. Designing thermal radiation metamaterials via a hybrid adversarial autoencoder and Bayesian optimization. Optics Letters. 2022;47(14):3395-8.

189. Zhu R, Fang X, Davy M, Tang S, Lai S, Xu C, editors. PARAMETRIC STUDIES OF DEFLAGRATION-TO-DETONATION TRANSITION IN A PRE-CHAMBER/MAIN-CHAMBER SYSTEM.

190. Zhu XL, Liu WY, Chen M, Weng SM, McKenna P, Sheng ZM, et al. Bunched Proton Acceleration from a Laser-Irradiated Cone Target. Physical Review Applied. 2022;18(4).

191. Zhu XL, Liu WY, Weng SM, Chen M, Sheng ZM, Zhangjie J. Generation of single-cycle relativistic infrared pulses at wavelengths above 20 μ m from density-tailored plasmas. Matter and Radiation at Extremes. 2022;7(1).

192. Zhu XZ, Chen M, Li BY, Liu F, Ge XL, Sheng ZM, et al. Electron relay acceleration in wakefields driven by a single laser interacting with multi-stage plasma channels. Physics of Plasmas. 2022;29(1).

193. Zhuang H, Ding D, Chen H, Li G, Chen H, Zhang B. Effectiveness of Reaction Control System in Hypersonic Rarefied Reactive Flow. Journal of Spacecraft and Rockets. 2022;59(3):717-27.

194. Zou J, Jin H, Liu D, Zhang X, Su H, Yang J, et al. A comprehensive study on low-temperature oxidation chemistry of cyclohexane. II. Experimental and kinetic modeling investigation. Combustion and Flame. 2022;235.

195. Zou J, Li Y, Ye L, Jin H. A comprehensive study on low-temperature oxidation chemistry of cyclohexane. I. Conformational analysis and theoretical study of first and second oxygen addition. Combustion and Flame. 2022;235.

196. Zou J, Zhang J, Lian T, Xu Q, Liu B, Wang Z, et al. Conformation-dependent low-temperature oxidation chemistry of methylcyclohexane: First oxygen addition and chain-branching. Combustion and Flame. 2022;243.