Molecular Mechanics Study of Flow and Surface Influence in Ligand–Protein Association

por Kaushik, Shivansh, Chang, Chia-en A.
Publicado 2021

The Role of Oligomerization and Cooperative Regulation in Protein Function: The Case of Tryptophan Synthase

por Fatmi, M. Qaiser, Chang, Chia-en A.
Publicado 2010

Mechanism of PhosphoThreonine/Serine Recognition and Specificity for Modular Domains from All-atom Molecular Dynamics

por Huang, Yu-ming M, Chang, Chia-en A
Publicado 2011

Achieving Peptide Binding Specificity and Promiscuity by Loops: Case of the Forkhead-Associated Domain

por Huang, Yu-ming M., Chang, Chia-en A.
Publicado 2014

T-Analyst: a program for efficient analysis of protein conformational changes by torsion angles

por Ai, Rizi, Qaiser Fatmi, M., Chang, Chia-en A.
Publicado 2010

Ritonavir and xk263 Binding-Unbinding with HIV-1 Protease: Pathways, Energy and Comparison

por Sun, Jianan, Raymundo, Mark Anthony V., Chang, Chia-En A.
Publicado 2022

Agonist and antagonist binding to the nuclear vitamin D receptor: dynamics, mutation effects and functional implications

por Yaghmaei, Sepideh, Roberts, Christopher, Ai, Rizi, Mizwicki, Mathew T, Chang, Chia-en A
Publicado 2013

Editorial: Mechanisms, thermodynamics and kinetics of ligand binding revealed from molecular simulations and machine learning

por Miao, Yinglong, Chang, Chia-En A., Zhu, Weiliang, McCammon, J. Andrew
Publicado 2023

Dynamics of the Acetylcholinesterase Tetramer

por Gorfe, Alemayehu A., Chang, Chia-en A., Ivanov, Ivaylo, McCammon, J. Andrew
Publicado 2008

Investigation of Structural Dynamics of Enzymes and Protonation States of Substrates Using Computational Tools

por Chang, Chia-En A., Huang, Yu-Ming M., Mueller, Leonard J., You, Wanli
Publicado 2016

Exploring the binding properties and structural stability of an opsin in the chytrid Spizellomyces punctatus using comparative and molecular modeling

por Ahrendt, Steven R., Medina, Edgar Mauricio, Chang, Chia-en A., Stajich, Jason E.
Publicado 2017

Characterization of Promiscuous Binding of Phosphor Ligands to Breast-Cancer-Gene 1 (BRCA1) C-Terminal (BRCT): Molecular Dynamics, Free Energy, Entropy and Inhibitor Design

por You, Wanli, Huang, Yu-ming M., Kizhake, Smitha, Natarajan, Amarnath, Chang, Chia-en A.
Publicado 2016

Insights Into Dynamics of Inhibitor and Ubiquitin-Like Protein Binding in SARS-CoV-2 Papain-Like Protease

por Bosken, Yuliana K., Cholko, Timothy, Lou, Yuan-Chao, Wu, Kuen-Phon, Chang, Chia-en A.
Publicado 2020

Allosteric regulation of substrate channeling: Salmonella typhimurium tryptophan synthase

por Ghosh, Rittik K., Hilario, Eduardo, Chang, Chia-en A., Mueller, Leonard J., Dunn, Michael F.
Publicado 2022

What Strengthens Protein-Protein Interactions: Analysis and Applications of Residue Correlation Networks

por Hung, Ta I, Hsieh, Yun-Jung, Lu, Wei-Lin, Wu, Kuen-Phon, Chang, Chia-en A.
Publicado 2023

What Strengthens Protein-Protein Interactions: Analysis and Applications of Residue Correlation Networks

por Hung, Ta I, Hsieh, Yun-Jung, Lu, Wei-Lin, Wu, Kuen-Phon, Chang, Chia-en A.
Publicado 2023

An MM and QM Study of Biomimetic Catalysis of Diels-Alder Reactions Using Cyclodextrins

por Chen, Wei, Sun, Lipeng, Tang, Zhiye, Ali, Zulfikhar A., Wong, Bryan M., Chang, Chia-en A.
Publicado 2018

Diffusional Channeling in the Sulfate-Activating Complex: Combined Continuum Modeling and Coarse-Grained Brownian Dynamics Studies

por Cheng, Yuhui, Chang, Chia-en A., Yu, Zeyun, Zhang, Yongjie, Sun, Meihao, Leyh, Thomas S., Holst, Michael J., McCammon, J. Andrew
Publicado 2008

The paradox of conformational constraint in the design of Cbl(TKB)-binding peptides

por Kumar, Eric A., Chen, Qianyi, Kizhake, Smitha, Kolar, Carol, Kang, Myungshim, Chang, Chia-en A., Borgstahl, Gloria E. O., Natarajan, Amarnath
Publicado 2013

Substitution of a Surface-Exposed Residue Involved in an Allosteric Network Enhances Tryptophan Synthase Function in Cells

por D’Amico, Rebecca N., Bosken, Yuliana K., O’Rourke, Kathleen F., Murray, Alec M., Admasu, Woudasie, Chang, Chia-en A., Boehr, David D.
Publicado 2021