Taller de docking molecular y dinámica molecular
-
Updated
Sep 6, 2023 - Jupyter Notebook
Taller de docking molecular y dinámica molecular
This example demonstrates how to completely hide the dock panel caption.
In silico identification of CDK1 inhibitors in colorectal cancer
Webpage of the HADDOCK group
This repository contains the sample that explains how to create MVVM adapter for wpf docking manager for creating MVVM applications.
Vina MPI is a MPI ready version of the docking software Autodock Vina.
The needed elements for three scenarios that use the MDRR.
Straightforwarding Scoring Suite (3S).
Smina is fork of AutoDock Vina that is customized to better support scoring function development and high-performance energy minimization. smina is maintained by David Koes at the University of Pittsburgh and is not directly affiliated with the AutoDock project. This fork of Smina adds changes that allow it to run as a part of DockingFactory.
Open-sourced. A cloud-based workflow to evaluate the confidence of a given docked pose with binding pose metadynamics
Flexible Artificial Intelligence Docking
DockingInterface is a Python wrapper for open-source molecular docking programs: Autodock Vina, Smina, QVina2, and rDock.
AutoDock Vina is one of the fastest and most widely used open-source docking engines. It is based on a simple scoring function and rapid gradient-optimization conformational search. It was originally designed and implemented by Dr. Oleg Trott in the Molecular Graphics Lab. This fork of Vina adds changes that allow it to be a part of DockingFactory.
Scipion framework plugin for the use of tools provided in the Rosetta software suite. Currently it has protocols for the use of the Rosetta DARC docking software
Finding redundancies and similarities in SMILES datasets
In silico simulation between metfomin and oestrogen receptors (ERalpha and ERbeta) and androgen receptors (AR)
Add a description, image, and links to the docking topic page so that developers can more easily learn about it.
To associate your repository with the docking topic, visit your repo's landing page and select "manage topics."