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The Journal of Physical Chemistry. B|June 12, 2020
Amyloid-β (Aβ42) Peptide Aggregation Rate and Mechanism on Surfaces with Widely Varied Properties: Insights from Brownian Dynamics SimulationsTimothy Cholko, Joseph Barnum, Chia-En A ChangPhysical Chemistry Chemical Physics : PCCP|July 17, 2019
Dynamics and molecular interactions of single-stranded DNA in nucleic acid biosensors with varied surface propertiesTimothy Cholko, Shivansh Kaushik, Chia-En A ChangJournal of Chemical Theory and Computation|February 28, 2019
Potential Mean Force from Umbrella Sampling Simulations: What Can We Learn and What Is Missed?Wanli You, Zhiye Tang, 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 ChangThe 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 ChangChemmedchem|November 8, 2018
Discovery of CDK8/CycC Ligands with a New Virtual Screening ToolWei Chen, Xiaodong Ren, Chia-En A ChangBMC Biophysics|May 27, 2011
Mechanism of PhosphoThreonine/Serine Recognition and Specificity for Modular Domains from All-atom Molecular DynamicsYu-Ming M Huang, Chia-En A ChangPlos One|May 30, 2014
Achieving peptide binding specificity and promiscuity by loops: case of the forkhead-associated domainYu-Ming M Huang, Chia-En A ChangFrontiers in Bioscience (Landmark Edition)|November 5, 2016
Understanding ligand-receptor non-covalent binding kinetics using molecular modelingZhiye Tang, Christopher C Roberts, Chia-En A ChangFrontiers in Molecular Biosciences|June 18, 2026
TDTAC: a generalized time-dependent torsion angle correlation framework for resolving directional coordination in large biomolecular assembliesCarolina Escobar Palacio, Tongye Shen, Chia-En A ChangPageof 10