Taller de docking molecular y dinámica molecular
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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
Finding redundancies and similarities in SMILES datasets
In silico simulation between metfomin and oestrogen receptors (ERalpha and ERbeta) and androgen receptors (AR)
📒 A library for docking panels in .Net WinForms that facilitates the management of light and dark workspaces and themes. Tailored for the Nulo Ecosystem.
test-bed for differentiable parameter optimization of molecular systems
Published work of mine in Pitt Biological Sciences Advising Blog about using Bioinformatics to predict Ligand-Protein interactions.
A protein-glycan benchmark, ready for use with HADDOCK
Flexible Artificial Intelligence Docking
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