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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Installing CHARMM, pyCHARMM, pyALF, and MMTSB by Prof. Charles L Brooks III and David Braun
MSLD_Workshop_07-31-2023
From Jonah Vilseck
189 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…
MSLD_Workshop_08-01-2023
From Jonah Vilseck
215 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…
MSLD_Workshop_08-02-2023
From Jonah Vilseck
188 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.…
MSLD_Workshop_08-03-2023
From Jonah Vilseck
128 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
MSLD_Workshop_08-04-2023
From Jonah Vilseck
99 plays 0
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