Chao Yang

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Peng ZhouCenter for Informational Biology, School of Life Science and Technology, University of ElectronicVerified email at uestc.edu.cn
Yingkai ZhangProfessor of Chemistry, New York UniversityVerified email at nyu.edu
Jian HuangCenter for Informational Biology, University of Electronic Science and Technology of ChinaVerified email at uestc.edu.cn
Chunyu WangProfessor of Biological Sciences, Chemistry and Chemical Biology, Rensselaer Polytechnic InstituteVerified email at rpi.edu
Stewart N. LohProfessor of Biochemistry, SUNY Upstate Medical UniversityVerified email at upstate.edu
David BanRegeneronVerified email at regeneron.com
Xinyue LiuDepartment of Cell Biology, Harvard Medical SchoolVerified email at hms.harvard.edu
Ashley CanningPhD Candidate, SUNY Upstate Medical UniversityVerified email at upstate.edu
Jianhan ChenProfessor of Chemistry, University of MassachusettsVerified email at umass.edu
Lauren Gandy, Ph.D.Postdoctoral Researcher, GLY-CREET, UPECVerified email at u-pec.fr
Xiaorong LiuUniversity of MichiganVerified email at umich.edu
Xuben HouNew York UniversityVerified email at nyu.edu
Kai Wen TengMerck & CoVerified email at merck.com
Benjamin G. NeelProfessor of Medicine, NYU School of Medicine; Director, Laura and Isaac Perlmutter Cancer CenterVerified email at nyulangone.org
Carmine FedeleNovartis Institute of Biomedical ResearchVerified email at novartis.com
Shohei KoideNew York University Grossman School of Medicine; Perlmutter Cancer CenterVerified email at nyumc.org
Akiko KoideNYU school of medicineVerified email at nyulangone.org
Tung-Tien SunProfessor of Cell Biology, Dermatology, Pharmacology & Urology, NYU School of MedicineVerified email at nyumc.org
Jianing LuJansse Pharmaceutical Companies of Johnson & JohnsonVerified email at nyu.edu
Yuwei YangResearch Scientist at ByteDanceVerified email at bytedance.com

Chao Yang

New York University

Verified email at nyu.edu

Computer-aided drug discovery virtual screening protein/peptide dynamics


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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	159	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
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	115	2013
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	112	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	61	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	53	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	37	2022
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	37	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	36	2021
Lin_F9: A Linear Empirical Scoring Function for Protein–Ligand Docking C Yang, Y Zhang Journal of Chemical Information and Modeling, 2021	18	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

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