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Teaching, Courses and Tutorials

Workshops and Conferences

Please find a list of workshops and conferences organized by the MCM group here

Conference presentations and lectures by MCM group members available online:

Exploring ligand unbinding kinetics using random acceleration molecular dynamics: what can we learn?: Daria Kokh, 2020 Workshop on Free Energy Methods in Drug Design, November 12-14, 2020
Computational Approaches to Protein Dynamics and Binding Kinetics for Drug Discovery: Rebecca Wade, Molecular Graphics and Modelling Society (MGMS) Lecture Tour Lecture, November 24, 2020
Ligand unbinding mechanisms and kinetics for T4 lysozyme mutants: Ariane Nunes Alves, Webinar - Red Latinoamericana de Fisicoquímica Teórica (RedLatFQT), February 3, 2021
Tinkering with the linkers: a single-molecule FRET study of the linker-DNA and linker histone on a nucleosome: Madhura De, #FragileNucleosome seminar, March 10, 2021

Molecular Visualization using VMD (Visual Molecular Dynamics): VMD tutorial
COMBINE: COMBINE analysis to derive protein structure-based QSARs (June 3-4, 2002)
GRID: GRID for structure-based drug design (June 3-4, 2002)
UHBD: UHBD to compute electrostatic binding free energy (June 3-4, 2002)
3DFS: 3DFS to do a flexible ligand pharmacophore search (June 3-4, 2002)
tau-RAMD: tau-RAMD tutorial: Fast estimation of drug residence times (Daria Kokh & Rebecca Wade, 2020 MolSSI School on “Open Source Software for Rare Event Sampling Strategies”, July 15, 2020)
RASPD+: RASPD+ tutorial: Fast protein-ligand binding free energy prediction using machine learning and its applications to SARS-CoV-2 targets (including introduction to machine learning methods) (Goutam Mukherjee, Drug Discovery Hackathon 2020 workshop”, August 18, 2020)

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