Chia-en A. Chang

发表

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

M. Qaiser Fatmi, Chia-en A. Chang, A. Mozzarelli, 2010, PLoS Comput. Biol..

A molecular dynamics investigation of CDK8/CycC and ligand binding: conformational flexibility and implication in drug discovery

Wei Chen, Chia-en A. Chang, Timothy Cholko, 2017, bioRxiv.

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

Wanli You, Chia-en A. Chang, Smitha Kizhake, 2016, PLoS Comput. Biol..

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

M. Qaiser Fatmi, Chia-en A. Chang, Rizi Ai, 2010, J. Comput. Aided Mol. Des..

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

Chia-en A. Chang, Yu‐ming M. Huang, L. J. Mueller, 2016, Catalysts.

Amino acid networks in a (β/α)₈ barrel enzyme change during catalytic turnover.

Wanli You, Chia-en A. Chang, D. Boehr, 2014, Journal of the American Chemical Society.

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

Chia-en A. Chang, Zhiye Tang, Chia‐en A. Chang, 2017, bioRxiv.

Insights from free-energy calculations: protein conformational equilibrium, driving forces, and ligand-binding modes.

Chia-en A. Chang, Yu‐ming M. Huang, M. Potter, 2012, Biophysical journal.

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

Chia-en A. Chang, Kuen-Phon Wu, Yuliana K Bosken, 2020, Frontiers in Molecular Biosciences.

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

Chia-en A. Chang, Yu‐ming M. Huang, Wei Chen, 2017, Biochemistry.

Construction of a Sequenceable Protein Mimetic Peptide Library with a True 3D Diversifiable Chemical Space.

Chia-en A. Chang, Zhonghan Li, Shiqun Shao, 2018, Journal of the American Chemical Society.

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

Chia-en A. Chang, Yu‐ming M. Huang, Chia‐en A. Chang, 2014, PloS one.

Atomistic Modelling of Phosphopeptide Recognition for Modular Domains

Chia-en A. Chang, Yu‐ming M. Huang, Chia‐en A. Chang, 2013 .

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

Chia-en A. Chang, Yu‐ming M. Huang, Chia‐en A. Chang, 2011, BMC biophysics.

Dissection of ligand–CDK8/CycC unbinding free energy barriers and kinetics by molecular simulations

Chia-en A. Chang, Zhiye Tang, Chia‐en A. Chang, 2018, bioRxiv.

Evaluating the accuracy of the umbrella sampling plots with different dissociation paths, conformational changes, and structure preparation

Chia-en A. Chang, Wanli You, Zhiye Tang, 2017, bioRxiv.

Ligand Binding Pathways and Conformational Transitions of the HIV Protease.

Chia-en A. Chang, J. Mccammon, Yu‐ming M. Huang, 2018, Biochemistry.

Switches of hydrogen bonds during ligand–protein association processes determine binding kinetics

Chia-en A. Chang, Yu‐ming M. Huang, M. Kang, 2014, Journal of molecular recognition : JMR.

Analysis of Ligand-Receptor Association and Intermediate Transfer Rates in Multienzyme Nanostructures with All-Atom Brownian Dynamics Simulations.

Chia-en A. Chang, C. Roberts, Chia‐en A. Chang, 2016, The journal of physical chemistry. B.

Dynamics and molecular interactions of single-stranded DNA in nucleic acid biosensors with varied surface properties.

Chia-en A. Chang, T. Cholko, Shivansh Kaushik, 2019, Physical chemistry chemical physics : PCCP.

Ligand Binding Pathway Elucidation for Cryptophane Host-Guest Complexes.

Chia-en A. Chang, C. Roberts, Chia‐en A. Chang, 2013, Journal of chemical theory and computation.

Structure and noncanonical Cdk8 activation mechanism within an Argonaute-containing Mediator kinase module

Chia-en A. Chang, B. Garcia, Guojie Li, 2021, Science Advances.

Imaging active site chemistry and protonation states: NMR crystallography of the tryptophan synthase α-aminoacrylate intermediate

Chia-en A. Chang, J. R. Long, L. J. Mueller, 2021, Proceedings of the National Academy of Sciences.

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

Chia-en A. Chang, 2018, Biophysical journal.

Mechanistic insights into phosphopeptide--BRCT domain association: preorganization, flexibility, and phosphate recognition.

Chia-en A. Chang, Yu‐ming M. Huang, M. Kang, 2012, The journal of physical chemistry. B.