https://github.com/giatraskon/pten-moleculardynamics-drugdesign

Comprehensive molecular dynamics simulations and drug design analysis for PTEN protein: workflows include protein dynamics, binding site detection, ligand screening, and filtering for therapeutic discovery.

bioinformatics cadd charmm chembioserver clustering computer-aided-drug-design docking drug-design glide maestro mds molecular-dynamics-simulation namd2 pten qikprop sitemap structural-biology trajectory-analysis virtual-screening vmd

Last synced: 31 Mar 2025