EGCG binds intrinsically disordered N-terminal domain of p53 and disrupts p53-MDM2 interaction J Zhao, A Blayney, X Liu, L Gandy, W Jin, L Yan, JH Ha, A J. Canning, ... Nature Communications, 2021 | 144 | 2021 |
Self-binding peptides: folding or binding? C Yang, S Zhang, P He, C Wang, J Huang, P Zhou Journal of Chemical Information and Modeling 55 (2), 329-342, 2015 | 123 | 2015 |
What are the ideal properties for functional food peptides with antihypertensive effect? A computational peptidology approach P Zhou, C Yang, Y Ren, C Wang, F Tian Food chemistry 141 (3), 2967-2973, 2013 | 113 | 2013 |
Computational peptidology: a new and promising approach to therapeutic peptide design P Zhou, C Wang, Y Ren, C Yang, F Tian Current Medicinal Chemistry 20 (15), 1985-1996, 2013 | 113 | 2013 |
Structural modeling of HLA-B* 1502/peptide/carbamazepine/T-cell receptor complex architecture: implication for the molecular mechanism of carbamazepine-induced Stevens-Johnson … P Zhou, S Zhang, Y Wang, C Yang, J Huang Journal of Biomolecular Structure and Dynamics 34 (8), 1806-1817, 2016 | 110 | 2016 |
A two-step binding mechanism for the self-binding peptide recognition of target domains C Yang, S Zhang, Z Bai, S Hou, D Wu, J Huang, P Zhou Molecular BioSystems 12 (4), 1201-1213, 2016 | 106 | 2016 |
Biomacromolecular quantitative structure–activity relationship (BioQSAR): a proof-of-concept study on the modeling, prediction and interpretation of protein–protein binding … P Zhou, C Wang, F Tian, Y Ren, C Yang, J Huang Journal of computer-aided molecular design 27, 67-78, 2013 | 94 | 2013 |
Structural and energetic insights into the intermolecular interaction among human leukocyte antigens, clinical hypersensitive drugs and antigenic peptides C Yang, C Wang, S Zhang, J Huang, P Zhou Molecular Simulation 41 (9), 741-751, 2015 | 83 | 2015 |
Protein–ligand docking in the machine-learning era C Yang, EA Chen, Y Zhang Molecules 27 (14), 4568, 2022 | 55 | 2022 |
Selective and noncovalent targeting of RAS mutants for inhibition and degradation KW Teng, ST Tsai, T Hattori, C Fedele, A Koide, C Yang, X Hou, Y Zhang, ... Nature communications 12 (1), 2656, 2021 | 52 | 2021 |
Mutatomics analysis of the systematic thermostability profile of Bacillus subtilis lipase A F Tian, C Yang, C Wang, T Guo, P Zhou Journal of molecular modeling 20, 1-9, 2014 | 38 | 2014 |
Dominant role of CDKN2B/p15INK4B of 9p21.3 tumor suppressor hub in inhibition of cell-cycle and glycolysis Y Xia, Y Liu, C Yang, DM Simeone, TT Sun, DJ DeGraff, M Tang, Y Zhang, ... Nature communications 12 (1), 2047, 2021 | 31 | 2021 |
Delta Machine Learning to Improve Scoring-Ranking-Screening Performances of Protein–Ligand Scoring Functions C Yang, Y Zhang Journal of Chemical Information and Modeling 62 (11), 2696-2712, 2022 | 29 | 2022 |
Lin_F9: A Linear Empirical Scoring Function for Protein–Ligand Docking C Yang, Y Zhang Journal of Chemical Information and Modeling, 2021 | 15 | 2021 |
Exploring fragment-based target-specific ranking protocol with machine learning on cathepsin S Y Yang, J Lu, C Yang, Y Zhang Journal of Computer-Aided Molecular Design, 2019 | 15 | 2019 |
Selection and characterization of alanine racemase inhibitors against Aeromonas hydrophila Y Wang, C Yang, W Xue, T Zhang, X Liu, J Ju, B Zhao, D Liu BMC microbiology 17, 1-12, 2017 | 13 | 2017 |
De novo Design of SARS-CoV-2 Main Protease Inhibitors C Fischer, NA Vepřek, Z Peitsinis, KP Rühmann, C Yang, JN Spradlin, ... Synlett 33 (05), 458-463, 2022 | 10 | 2022 |
Current Computational Methods for Protein-Peptide Complex Structure Prediction C Yang, X Xu, C Xiang Current Medicinal Chemistry, 2023 | | 2023 |