Tuning Free Energy by Backbone Conformational Entropy: A Strategy from Disordered Proteins

Por Chang, Chia-en A.
Publicado no Biophys J (2018)

Systematic Dissociation Pathway Searches Guided by Principal Component Modes

Por Tang, Zhiye, Chang, Chia-en A.
Publicado no J Chem Theory Comput (2017)

Binding Thermodynamics and Kinetics Calculations Using Chemical Host and Guest: A Comprehensive Picture of Molecular Recognition

Por Tang, Zhiye, Chang, Chia-en A.
Publicado no J Chem Theory Comput (2017)

Role of Molecular Interactions and Protein Rearrangement in the Dissociation Kinetics of p38α MAP Kinase Type-I/II/III Inhibitors

Por You, Wanli, Chang, Chia-en A.
Publicado no J Chem Inf Model (2018)

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

Por Fatmi, M. Qaiser, Chang, Chia-en A.
Publicado em 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 em 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 em 2014

Ligand configurational entropy and protein binding

Por Chang, Chia-en A., Chen, Wei, Gilson, Michael K.
Publicado em 2007

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 em 2010

Understanding ligand-receptor non-covalent binding kinetics using molecular modeling

Por Tang, Zhiye, Roberts, Christopher C., Chang, Chia-en A.
Publicado no Front Biosci (Landmark Ed) (2017)

HIV-1 Protease Substrate Binding and Product Release Pathways Explored with Coarse-Grained Molecular Dynamics

Por Trylska, Joanna, Tozzini, Valentina, Chang, Chia-en A., McCammon, J. Andrew
Publicado em 2007

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 em 2013

Protein Binding for Detection of Small Changes on Nanoparticle Surface

Por Zeng, Shang, Huang, Yu-ming M., Chang, Chia-en A., Zhong, Wenwan
Publicado no Analyst (2014)

Dynamics of the Acetylcholinesterase Tetramer

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

Insights from Free-Energy Calculations: Protein Conformational Equilibrium, Driving Forces, and Ligand-Binding Modes

Por Huang, Yu-ming M., Chen, Wei, Potter, Michael J., Chang, Chia-en A.
Publicado em 2012

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 no Catalysts (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 no PeerJ (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 no PLoS Comput Biol (2016)

Mechanism of the Association Pathways for a Pair of Fast and Slow Binding Ligands of HIV‑1 Protease

Por Huang, Yu-ming M., Raymundo, Mark Anthony V., Chen, Wei, Chang, Chia-en A.
Publicado no Biochemistry (2017)

Entropic contributions and the influence of the hydrophobic environment in promiscuous protein–protein association

Por Chang, Chia-en A., McLaughlin, William A., Baron, Riccardo, Wang, Wei, McCammon, J. Andrew
Publicado em 2008