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

מאת Chang, Chia-en A.
הוצא לאור ב Biophys J (2018)

Systematic Dissociation Pathway Searches Guided by Principal Component Modes

מאת Tang, Zhiye, Chang, Chia-en A.
הוצא לאור ב J Chem Theory Comput (2017)

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

מאת Tang, Zhiye, Chang, Chia-en A.
הוצא לאור ב 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

מאת You, Wanli, Chang, Chia-en A.
הוצא לאור ב J Chem Inf Model (2018)

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

מאת Kaushik, Shivansh, Chang, Chia-en A.
הוצא לאור ב Front Mol Biosci (2021)

Modeling Effects of Surface Properties and Probe Density for Nanoscale Biosensor Design: A Case Study of DNA Hybridization near Surfaces

מאת Cholko, Timothy, Chang, Chia-en A.
הוצא לאור ב J Phys Chem B (2021)

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

מאת Fatmi, M. Qaiser, Chang, Chia-en A.
יצא לאור 2010

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

מאת Huang, Yu-ming M, Chang, Chia-en A
יצא לאור 2011

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

מאת Huang, Yu-ming M., Chang, Chia-en A.
יצא לאור 2014

Discovery of New CDK8/CycC ligands with a Novel Virtual Screening Tool

מאת Chen, Wei, Ren, Xiaodong, Chang, Chia-en A.
הוצא לאור ב ChemMedChem (2018)

Potential Mean Force from Umbrella Sampling Simulations: What Can We Learn and What Is Missed?

מאת You, Wanli, Tang, Zhiye, Chang, Chia-en A.
הוצא לאור ב J Chem Theory Comput (2019)

Amyloid-β (Aβ42) Peptide Aggregation Rate and Mechanism on Surfaces with Widely Varied Properties: Insights from Brownian Dynamics Simulations

מאת Cholko, Timothy, Barnum, Joseph, Chang, Chia-en A.
הוצא לאור ב J Phys Chem B (2020)

Ligand configurational entropy and protein binding

מאת Chang, Chia-en A., Chen, Wei, Gilson, Michael K.
יצא לאור 2007

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

מאת Ai, Rizi, Qaiser Fatmi, M., Chang, Chia-en A.
יצא לאור 2010

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

מאת Tang, Zhiye, Roberts, Christopher C., Chang, Chia-en A.
הוצא לאור ב Front Biosci (Landmark Ed) (2017)

Transient States and Barriers from Molecular Simulations and the Milestoning Theory: Kinetics in Ligand–Protein Recognition and Compound Design

מאת Tang, Zhiye, Chen, Si-Han, Chang, Chia-en A.
הוצא לאור ב J Chem Theory Comput (2020)

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

מאת Cholko, Timothy, Chen, Wei, Tang, Zhiye, Chang, Chia‑en A.
הוצא לאור ב J Comput Aided Mol Des (2018)

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

מאת Trylska, Joanna, Tozzini, Valentina, Chang, Chia-en A., McCammon, J. Andrew
יצא לאור 2007

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

מאת Yaghmaei, Sepideh, Roberts, Christopher, Ai, Rizi, Mizwicki, Mathew T, Chang, Chia-en A
יצא לאור 2013

Protein Binding for Detection of Small Changes on Nanoparticle Surface

מאת Zeng, Shang, Huang, Yu-ming M., Chang, Chia-en A., Zhong, Wenwan
הוצא לאור ב Analyst (2014)