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

by Shivansh Kaushik, Chia-en A. Chang
Published 2021-05-01

The role of oligomerization and cooperative regulation in protein function: the case of tryptophan synthase.

by M Qaiser Fatmi, Chia-en A Chang
Published 2010-01-01

Achieving peptide binding specificity and promiscuity by loops: case of the forkhead-associated domain.

by Yu-Ming M Huang, Chia-En A Chang
Published 2014-01-01

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

by Steven R. Ahrendt, Edgar Mauricio Medina, Chia-en A. Chang, Jason E. Stajich
Published 2017-04-01

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

by Chia-en A. Chang, Yu-ming M. Huang, Leonard J. Mueller, Wanli You
Published 2016-05-01

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

by Wanli You, Yu-Ming M Huang, Smitha Kizhake, Amarnath Natarajan, Chia-En A Chang
Published 2016-08-01

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

by Yuliana K. Bosken, Timothy Cholko, Yuan-Chao Lou, Kuen-Phon Wu, Chia-en A. Chang
Published 2020-08-01

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

by Wei Chen, Lipeng Sun, Zhiye Tang, Zulfikhar A. Ali, Bryan M. Wong, Chia-en A. Chang
Published 2018-01-01

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

by Rebecca N. D’Amico, Yuliana K. Bosken, Kathleen F. O’Rourke, Alec M. Murray, Woudasie Admasu, Chia-en A. Chang, David D. Boehr
Published 2021-05-01