Recording
Recording of GaMD Workshop 2024
Recording of the Gaussian accelerated Molecular Dynamics (GaMD) workshop at University of North Carolina (大象传媒), Chapel Hill (hybrid) on Monday Oct 28, 2024. The workshop was designed for all students and researchers in Computational Chemistry, Biophysics and Biomedicine in the areas of Molecular Dynamics, Enhanced Sampling and Drug Design. The topics included the latest developments and advanced application studies of the GaMD methodology. The workshop consisted of invited talks in the morning and 鈥渉ands-on鈥� tutorial sessions of different GaMD algorithms in the afternoon. We greatly appreciate the support from the Department of Pharmacology, Computational Medicine Program and Research Computing at 大象传媒.聽
00:00:00 “Welcome Remark” by Henrik Dohlman, PhD, 大象传媒-Chapel Hill
00:01:05 “Introduction and Overview of GaMD” by Yinglong Miao, PhD, 大象传媒-Chapel Hill
00:24:15 “Investigation of Mechanism of Calcium Sensitivity Modulation of Cardiac Troponin C by Small Molecules” by Steffen Lindert, PhD. Ohio State University
00:55:50 “MDANCE: flexible and versatile n-ary clustering package” by Ramon Alain Miranda Quintana, PhD, University of Florida
01:21:50 “Conformational Distributions of Glycans on Glycoproteins: NMR and GaMD” by James Prestegard, PhD, University of Georgia
01:57:30 “Bridging timescales in protein simulations using Parallelized Gaussian Accelerated Molecular Dynamics (ParGaMD)” by Surl-Hee (Shirley) Ahn, PhD, University of California, Davis
02:29:07 “Running Gaussian Accelerated Molecular Dynamics for Customized Regions in OpenMM” by Pengfei Li, PhD, Loyola University Chicago
03:02:00 “Hands-on tutorial: GaMD”聽 by Victor Adediwura, 大象传媒-Chapel Hill
04:13:15 “Hands-on tutorial: Ligand GaMD (LiGaMD)” by Jinan Wang, PhD, 大象传媒-Chapel Hill
05:08:28 “Hands-on tutorial: Protein-Protein Interaction GaMD (PPI-GaMD)” by Keya Joshi, 大象传媒-Chapel Hill