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The Journal of Physical Chemistry. B|May 15, 2026
Revealing Imatinib-Kinase Specificity via Analyzing Changes in Protein Dynamics and Computing Molecular Binding AffinityWilliam Troxel, Emily Vig, Chia-En A ChangBiochemistry|February 10, 2025
Pathway Specific Unbinding Free Energy Profiles of Ritonavir Dissociation from HIV-1 ProteaseEmily Vig, Jianan Sun, Chia-En A ChangBiorxiv : the Preprint Server for Biology|February 12, 2026
Revealing imatinib-kinase specificity via analyzing changes in protein dynamics and computing molecular binding affinityWilliam Troxel, Emily Vig, Chia-En ChangNature Communications|February 18, 2026
Structural insight into hierarchical DNMT3A autoinhibition and its dysregulation in diseaseJiuwei Lu, Emily Vig, Jianbin Chen, et al.Journal of Chemical Information and Modeling|April 6, 2018
Role of Molecular Interactions and Protein Rearrangement in the Dissociation Kinetics of p38α MAP Kinase Type-I/II/III InhibitorsWanli You, Chia-En A ChangFrontiers in Molecular Biosciences|May 27, 2021
Molecular Mechanics Study of Flow and Surface Influence in Ligand-Protein AssociationShivansh Kaushik, Chia-En A ChangJournal of Chemical Theory and Computation|April 19, 2017
Systematic Dissociation Pathway Searches Guided by Principal Component ModesZhiye Tang, Chia-En A ChangJournal of Chemical Theory and Computation|November 18, 2017
Binding Thermodynamics and Kinetics Calculations Using Chemical Host and Guest: A Comprehensive Picture of Molecular RecognitionZhiye Tang, Chia-En A ChangThe Journal of Physical Chemistry. B|February 16, 2021
Modeling Effects of Surface Properties and Probe Density for Nanoscale Biosensor Design: A Case Study of DNA Hybridization near SurfacesTimothy Cholko, Chia-En A ChangJournal of Molecular Graphics & Modelling|October 20, 2012
Ligand-specific homology modeling of human cannabinoid (CB1) receptorRizi Ai, Chia-en A ChangPageof 10