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

Using GNINA scoring function to rank the pose

An Autodock Vina automation project with basic data analysis tools.

Taller de docking molecular y dinámica molecular

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

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

A fork of Autodock Vina for DeltaVina scoring function

Dock Multiple Ligands with AutoDock Vina with one Command

Parallelized Open Babel & Autodock suite Pipeline

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

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

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

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