Ligand based target searching
-
Updated
Oct 11, 2018 - Shell
Ligand based target searching
A Colab notebook explaining the pipeline for smile format, openbabel, autodock vina, pymol and more
A simple batch submission script to submit jobs to AutoDock Vina on Linux and MacOS developed by Bhavesh Ashok.
FireflyVina2LS was developed based on the framework of PSOVina2LS. For more information about Vina, please visit http://vina.scripps.edu.
mirror of vina.scripps.edu/download v1.1.2
VRmol: an Integrative Web-Based Virtual Reality System to Explore Macromolecular Structure
Test task for the position of a specialist in structural bioinformatics in the BIOCAD Corporation
A Bash script to submit batch jobs to ORCA, OpenBabel, MGLTools, and Autodock Vina. Automatically checks for syntax errors in ORCA input files, and can also identify ORCA runtime crashes. Organizes log files into individual directories, and creates an easy to read results summary text file. Created by Rac Mukkamala
Repository for AutoDock Vina Mission framework type in Galileo.
Ranking of all the ligands in molecular docking by their AutoDock Vina scores, an approximation to their free energy of binding to the protein.
Analysis on the number of non-hydrogen atomic contacts between a ligand and each of specified residues on the protein following molecular docking of multiple ligands to a protein structure.
Tactic MMIC for molecular docking using AutoDock Vina
A quick and dirty virtual screening task for potential ligands of Flavobacterium johnsoniae Tyrosine Ammonia Lyase (FjTAL)
A script to run docking experiments in AutoDock Vina for several ligands at once with technical replicates.
Bachelor thesis
LaBOX: A Grid Box Calculation Tool for Molecular Docking
Add a description, image, and links to the autodock-vina topic page so that developers can more easily learn about it.
To associate your repository with the autodock-vina topic, visit your repo's landing page and select "manage topics."