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Biophysical Journal|August 28, 2021
Multiscale computational study of ligand binding pathways: Case of p38 MAP kinase and its inhibitorsYu-Ming M HuangJournal of Chemical Theory and Computation|July 31, 2024
Multiple Parameter Replica Exchange Gaussian Accelerated Molecular Dynamics for Enhanced Sampling and Free Energy Calculation of Biomolecular SystemsTimothy Hasse, Yu-Ming M HuangProteins|November 29, 2022
Molecular dynamics study reveals key disruptors of MEIG1-PACRG interactionTimothy Hasse, Zhibing Zhang, Yu-Ming M HuangProteins|April 23, 2025
In Silico Discovery of Potential Inhibitors Targeting the MEIG1-PACRG Complex for Male Contraceptive DevelopmentTimothy Hasse, Zhibing Zhang, Yu-Ming M HuangBMC 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 ChangBiorxiv : the Preprint Server for Biology|January 7, 2025
In silico discovery of potential inhibitors targeting the MEIG1-PACRG complex for male contraceptive developmentTimothy Hasse, Zhibing Zhang, Yu-Ming M HuangPlos One|May 30, 2014
Achieving peptide binding specificity and promiscuity by loops: case of the forkhead-associated domainYu-Ming M Huang, Chia-En A ChangProtein Science : a Publication of the Protein Society|September 9, 2015
Electrostatic steering enhances the rate of cAMP binding to phosphodiesterase: Brownian dynamics modelingYu-ming M Huang, Gary Huber, J Andrew McCammonJournal of Chemical Theory and Computation|March 1, 2018
Replica Exchange Gaussian Accelerated Molecular Dynamics: Improved Enhanced Sampling and Free Energy CalculationYu-Ming M Huang, J Andrew McCammon, Yinglong MiaoBiorxiv : the Preprint Server for Biology|February 23, 2026
Multiscale Analysis of PNPLA2 and PNPLA3 Membrane TargetingAmit Kumar, Grace Teskey, Emilio Mottillo, et al.Pageof 4