A PyMOL Plugin for calculating docking box for LeDock, AutoDock and AutoDock Vina.

(Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina

(Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina

High-throughput molecular docking with multiple targets and ligands using Vina series engines

Parallelized Open Babel & Autodock suite Pipeline

moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ​

Dock Multiple Ligands with AutoDock Vina with one Command

A fork of Autodock Vina for DeltaVina scoring function

This is a simple script to use [plip](https://github.com/pharmai/plip) to batch analysis of interactions between proteins and ligands that are results of smina (vina) docking.

Library detect carrier Vietnam telco: Viettel, Vina, MobiFone... & Format Phone number

Examines ligand interactions with predicted protein structures

some tips for using Uni-Dock

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

Step to reproduce the OpenBabel PDBQT tree error resulting in re-docking failure.

Add molecule name into meeko pdbqt

Easily relaunch failed AutoDock Vina OPAL jobs from UCSF Chimera

Taller de docking molecular y dinámica molecular

Using GNINA scoring function to rank the pose

An Autodock Vina automation project with basic data analysis tools.