fsmalik Goto Github PK
Type: User
fsmalik's Projects
amber-membrane_protein_tutorial
Tutorial on the setup and simulation of a membrane protein with AMBER Lipid21 and PACKMOL-Memgen
ambermd_supplements
Contains scripts for solving various tasks otherwise tedious by hand.
binding_site_comparison
Contains scripts for comparing residues at the binding site in MSA. Malik, F., & Li, Z. (2022). Non-peptide agonists and positive allosteric modulators of glucagon-like peptide-1 receptors: Alternative approaches for treatment of Type 2 diabetes. British Journal of Pharmacology, 179(4), 511–525.
bindingsite_cnn
Under construction... :/
consurf_binding_site
Contains the python script for determining conservation level of a binding site using ConSurf
dl_binder_design
Contains Script for Automatically Running dl_binder_design for RFDiffusion Results
molpert
Library for graph-based perturbation of RDKit molecules
ord-data
Official data repository for the Open Reaction Database
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