MSLD Workshop 2023
July 31, 2023 - August 4, 2023
The corresponding GitHub repository can be found here:
https://github.com/BrooksResearchGroup-UM/MSLD-Workshop/tree/main
July 31, 2023 - August 4, 2023
The corresponding GitHub repository can be found here:
https://github.com/BrooksResearchGroup-UM/MSLD-Workshop/tree/main
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From Jonah Vilseck August 1st, 2023
151 plays 0Installing CHARMM, pyCHARMM, pyALF, and MMTSB by Prof. Charles L Brooks III and David Braun -
From Jonah Vilseck August 8th, 2023
162 plays 0(1) A lecture of free energy methods, lambda dynamics, and CHARMM by Prof. Charles L Brooks III (2) An introduction to CHARMM/pyCHARMM scripts and an example protein… -
From Jonah Vilseck August 16th, 2023
143 plays 0(1) An introduction to ALF by Prof. Ryan Hayes (2) An introduction to the msld_py_prep scripts to set up ligand hybrid multiple topology files for MSLD by Luis F… -
From Jonah Vilseck August 17th, 2023
102 plays 0(1) A walkthrough to set up MSLD ligand perturbations by Prof. Jonah Z. Vilseck (2) Computing free energy bookending corrections for MSLD ligand perturbations by Luis F.… -
From Jonah Vilseck August 18th, 2023
85 plays 0(1) A walkthrough to set up MSLD protein perturbations by Prof. Ryan Hayes (2) Performing Constant pH MD simulations with ALF/MSLD by Dr. Xiaorong Liu