Molecular docking scripts for virtual screening studies
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Updated
Dec 30, 2019 - Perl
Molecular docking scripts for virtual screening studies
D2MD: a DNA-Drug Molecular Docking Suite
A molecular docking pipeline for the drug database against SARS-CoV2
A molecular docking pipeline for the drug database against SARS-CoV2
Flexible Artificial Intelligence Docking
AutoDock molecular docking for the NEC SX-Aurora TSUBASA
Reproducing IA^3 2020 Paper: "Parallelizing Irregular Computations for Molecular Docking"
Reproducing IA^3 2021 paper: "Mapping Irregular Computations for Molecular Docking to the SX-Aurora TSUBASA Vector Engine"
The NRGsuite is a PyMOL plugin (GUI) for FlexAID
Protocolos usados en la Tesis de Maestría (2017)
A quick and dirty virtual screening task for potential ligands of Flavobacterium johnsoniae Tyrosine Ammonia Lyase (FjTAL)
This is a plugin for PyMol 2.x to use the vina/Autodock fork SMINA under Windows 10 or 11 with the wsl2 linux subsystem installed.
A curated list of awesome Molecular Modeling And Drug Discovery 🔥
A set of molecular docking tools and analysis
RxDock is a fork of rDock. Note: the latest code is under development. Please do git checkout patched-rdock after clone if you want patched rDock. [IMPORTANT NOTE: pull requests should be posted on GitLab, this is a read-only source code mirror]
AlphaFold-based Protein Analysis Pipeline
LaTeX Bachelor's Thesis
Reproducing paper: "Benchmarking the Performance of Irregular Computations in AutoDock-GPU Molecular Docking"
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