| miRTarBase update 2022: an informative resource for experimentally validated miRNA–target interactions HY Huang, YCD Lin, S Cui, Y Huang, Y Tang, J Xu, J Bao, Y Li, J Wen, ... Nucleic acids research 50 (D1), D222-D230, 2022 | 673 | 2022 |
| Mechanism and kinetics for the initial steps of pyrolysis and combustion of 1, 6-dicyclopropane-2, 4-hexyne from ReaxFF reactive dynamics L Liu, C Bai, H Sun, WA Goddard III The Journal of Physical Chemistry A 115 (19), 4941-4950, 2011 | 138 | 2011 |
| Application of computational biology and artificial intelligence in drug design Y Zhang, M Luo, P Wu, S Wu, TY Lee, C Bai International journal of molecular sciences 23 (21), 13568, 2022 | 95 | 2022 |
| Surface propensities of the self-ions of water C Bai, J Herzfeld ACS central science 2 (4), 225-231, 2016 | 65 | 2016 |
| Molecular dynamics simulations of methanol to olefin reactions in HZSM-5 zeolite using a ReaxFF force field C Bai, L Liu, H Sun The Journal of Physical Chemistry C 116 (12), 7029-7039, 2012 | 65 | 2012 |
| Critical differences between the binding features of the spike proteins of SARS-CoV-2 and SARS-CoV C Bai, A Warshel The Journal of Physical Chemistry B 124 (28), 5907-5912, 2020 | 58 | 2020 |
| Predicting mutational effects on receptor binding of the spike protein of SARS-CoV-2 variants C Bai, J Wang, G Chen, H Zhang, K An, P Xu, Y Du, RD Ye, A Saha, ... Journal of the American Chemical Society 143 (42), 17646-17654, 2021 | 53 | 2021 |
| Revisiting the protomotive vectorial motion of F0-ATPase C Bai, A Warshel Proceedings of the National Academy of Sciences 116 (39), 19484-19489, 2019 | 44 | 2019 |
| On the control of the proton current in the voltage-gated proton channel Hv1 M Lee, C Bai, M Feliks, R Alhadeff, A Warshel Proceedings of the National Academy of Sciences 115 (41), 10321-10326, 2018 | 36 | 2018 |
| Activation and allosteric regulation of the orphan GPR88-Gi1 signaling complex G Chen, J Xu, A Inoue, MF Schmidt, C Bai, Q Lu, P Gmeiner, Z Liu, Y Du Nature communications 13 (1), 2375, 2022 | 28 | 2022 |
| Exploring the Activation Process of the β2AR-Gs Complex C Bai, J Wang, D Mondal, Y Du, RD Ye, A Warshel Journal of the American Chemical Society 143 (29), 11044-11051, 2021 | 27 | 2021 |
| Special pairs are decisive in the autoionization and recombination of water C Bai, J Herzfeld The Journal of Physical Chemistry B 121 (16), 4213-4219, 2017 | 20 | 2017 |
| The catalytic dwell in ATPases is not crucial for movement against applied torque C Bai, M Asadi, A Warshel Nature Chemistry 12 (12), 1187-1192, 2020 | 17 | 2020 |
| Chemistry with semi-classical electrons: reaction trajectories auto-generated by sub-atomistic force fields C Bai, S Kale, J Herzfeld Chemical Science 8 (6), 4203-4210, 2017 | 15 | 2017 |
| A systematic study on the binding affinity of SARS-CoV-2 spike protein to antibodies K An, X Zhu, J Yan, P Xu, L Hu, C Bai AIMS microbiology 8 (4), 595, 2022 | 6 | 2022 |
| The nature of functional features of different classes of G-protein-coupled receptors K An, X Zhu, C Bai Biology 11 (12), 1839, 2022 | 6 | 2022 |
| A predicted structure of NADPH Oxidase 1 identifies key components of ROS generation and strategies for inhibition Y Liu, S Liang, D Shi, Y Zhang, C Bai, RD Ye Plos one 18 (5), e0285206, 2023 | 5 | 2023 |
| Application of coarse-grained (CG) models to explore conformational pathway of large-scale protein machines D Shi, K An, H Zhang, P Xu, C Bai Entropy 24 (5), 620, 2022 | 5 | 2022 |
| Multi‐Responsive Peptide‐Based Ultrathin Nanosheets Prepared by a Horizontal Monolayer Assembly Y He, X Zhu, L Wang, Y Zhang, C Bai, D Wu Angewandte Chemie 136 (30), e202405765, 2024 | 4 | 2024 |
| Studies of the Mechanism of Nucleosome Dynamics: A Review on Multifactorial Regulation from Computational and Experimental Cases D Shi, Y Huang, C Bai Polymers 15 (7), 1763, 2023 | 4 | 2023 |