Search Results for "pyrx - virtual screening tool"
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Showing 7 open source projects for "pyrx - virtual screening tool"
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PyRx - Virtual Screening Tool
Virtual Screening software for Computational Drug Discovery
PyRx is a Virtual Screening software for Computational Drug Discovery that can be used to screen libraries of compounds against potential drug targets. PyRx enables Medicinal Chemists to run Virtual Screening from any platform and helps users in every step of this process - from data preparation to job submission and analysis of the results. -
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MzDOCK - Multiple Ligand Docking Tool
MzDOCK is A Virtual Screening Tool For Drug Discovery Research
- Molecular Docking Virtual Screening Tool To Aid In Drug Discovery Research. - Published in Wiley, Journal of Computational Chemistry . Link: https://onlinelibrary.wiley.com/doi/abs/10.1002/jcc.27390 - Developed with Synchronized functioning of Python and Batch scripts -Integerated With Pymol-open-source for visualizing interaction (PSE file) generated from MzDOCK - Integrated with Molecule Drawing Tool - JSME Editor - If you are facing any issues or for queries . ... -
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AutoDockParser
A tool for efficient processing of Docking results
AutoDock Suit is one of the most popular software for performing Molecular Docking and Virtual Screening. This suit offers two programs AutoDock and AutoDock Vina. AutoDock provides its output as Docking Log Files (DLG files), while the latter outputs in pdbqt format. Post-processing of these results has long remained a manual job and hence various protocols and workflows are designed that are user-specific. Manual processing of these results for subsequent interaction analysis has remained a time-consuming and apparently mundane task. ... -
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PSOVina 2.0
The Hybrid Particle Swarm Optimization for Protein-Ligand Docking
A fast docking tool based on the efficient optimization algorithm of Particle Swarm Intelligence and the framework of AutoDock Vina. Based on the initial PSO implementation, our PSOVina method has undergone several important improvements to enhance the docking accuary and achieve remarkable efficiency as compared to the original AutoDock Vina. https://cbbio.online/software/psovina/index.html -
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CS Miner
A tool for Navigating in Chemical Space
CS-Miner stands for Chemical Space Miner and is a software tool for navigating in chemical space of compound databases. It helps for deriving appropriate classification models and performing virtual screening. Download it via: http://csminer.com/csm/?p=7 A quick tutorial is available through: http://csminer.com/csm/?p=8 -
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ParallelVSR
ParallelVSR - a pipeline for parallel virtual screening on R platform
ParallelVSR is a cheminformatics pipeline for parallel Virtual Screening (VS) on R platform. With the added advantage of simplicity in using this pipeline, ParallelVSR is designed to meet the challenge of speed in VS. We have integrated Ligand Based Virtual Screening (LBVS) technique which uses ChemmineR - a reliable cheminformatics package on R platform and Structure Based Virtual Screening (SBVS) technique which uses AutoDock Vina - freely available and widely used protein-ligand docking tool. ...
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