Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results.
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Updated
Oct 30, 2023 - Jupyter Notebook
Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results.
High-throughput molecular docking with multiple targets and ligands using Vina series engines
package for docking ros2 robots. (based off fetch open auto dock)
Package AutoDock Vina, ADFR suite, Meeko, MGLTools into Docker Image.
Examines ligand interactions with predicted protein structures
Compilations of hands-on project Biomolecular simulations
A simple batch submission script to submit jobs to AutoDock Vina on Linux and MacOS developed by Bhavesh Ashok.
AutoDock molecular docking for the NEC SX-Aurora TSUBASA
A simple turtlebot 3 Aruco Autodocking Algorithm
A script to run docking experiments in AutoDock Vina for several ligands at once with technical replicates.
Molecular docking is one of the molecular modeling methods that predicts the preferred orientation of one molecule (ligand) to another (receptor) when bound to each other to form a stable complex (lowest energy state).
Test task for the position of a specialist in structural bioinformatics in the BIOCAD Corporation
Easily relaunch failed AutoDock Vina OPAL jobs from UCSF Chimera
Taller de docking molecular y dinámica molecular
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