Chia-en Chang, Ph.D.
Affiliations: | 2003 | University of Maryland, College Park, College Park, MD |
Area:
Physical Chemistry, General Biophysics, Medical Biophysics, Pharmaceutical ChemistryGoogle:
"Chia-en Chang"Mean distance: (not calculated yet)
Parents
Sign in to add mentorMichael K. Gilson | grad student | 2003 | University of Maryland | |
(Empirical ligand discovery and novel modeling techniques.) |
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Publications
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Miao Y, Chang CA, Zhu W, et al. (2023) Editorial: Mechanisms, thermodynamics and kinetics of ligand binding revealed from molecular simulations and machine learning. Frontiers in Molecular Biosciences. 10: 1139471 |
Chen W, He H, Wang J, et al. (2022) Uncovering water effects in protein-ligand recognition: importance in the second hydration shell and binding kinetics. Physical Chemistry Chemical Physics : Pccp |
Ruzmetov T, Montes R, Sun J, et al. (2022) Binding Kinetics Toolkit for Analyzing Transient Molecular Conformations and Computing Free Energy Landscapes. The Journal of Physical Chemistry. A |
Sun J, Raymundo MAV, Chang CA. (2022) Ritonavir and xk263 Binding-Unbinding with HIV-1 Protease: Pathways, Energy and Comparison. Life (Basel, Switzerland). 12 |
Kaushik S, Chang CA. (2021) Molecular Mechanics Study of Flow and Surface Influence in Ligand-Protein Association. Frontiers in Molecular Biosciences. 8: 659687 |
Bosken YK, Cholko T, Lou YC, et al. (2020) Insights Into Dynamics of Inhibitor and Ubiquitin-Like Protein Binding in SARS-CoV-2 Papain-Like Protease. Frontiers in Molecular Biosciences. 7: 174 |
Tang Z, Chen SH, Chang CA. (2020) Transient states and barriers from molecular simulations and milestoning theory: kinetics in ligand-protein recognition and compound design. Journal of Chemical Theory and Computation |
You W, Tang Z, Chang CA. (2019) Potential mean force from umbrella sampling simulations: what can we learn and what is missed? Journal of Chemical Theory and Computation |
Cholko T, Chen W, Tang Z, et al. (2018) A molecular dynamics investigation of CDK8/CycC and ligand binding: conformational flexibility and implication in drug discovery. Journal of Computer-Aided Molecular Design |
You W, Chang CA. (2018) Role of Molecular Interactions and Protein Rearrangement in the Dissociation Kinetics of p38α MAP Kinase Type-I/II/III Inhibitors. Journal of Chemical Information and Modeling |