Cyclic-peptide - protein complexes benchmark and associated scripts and data

Scripts for molecular docking

LightDock Protein-Protein Benchmark 5 Data

Drug repurposing for SARS-COV-2: A high-throughput molecular docking, molecular dynamics, machine learning, & ab-initio study

Dataset of the "Integrative Modeling of Membrane-associated Protein Assemblies" manuscript

A simple batch submission script to submit jobs to AutoDock Vina on Linux and MacOS developed by Bhavesh Ashok.

The necessary files to automatically set up dual monitors when docking my Thinkpad T430.