An Autodock Vina automation project with basic data analysis tools.
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Updated
Oct 2, 2024 - Python
An Autodock Vina automation project with basic data analysis tools.
Library detect carrier Vietnam telco: Viettel, Vina, MobiFone... & Format Phone number
moldrug (AKA mouse) is a python package for drug-oriented optimization on the chemical space
Taller de docking molecular y dinámica molecular
Examines ligand interactions with predicted protein structures
Step to reproduce the OpenBabel PDBQT tree error resulting in re-docking failure.
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.
High-throughput molecular docking with multiple targets and ligands using Vina series engines
Easily relaunch failed AutoDock Vina OPAL jobs from UCSF Chimera
A fork of Autodock Vina for DeltaVina scoring function
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