PyRx – Python Prescription

Virtual Screening Tool

Author: sargis

  • Dockamon – PyRx 1.0 Release Announcement

    —

    by

    sargis
    in

    We are pleased to announce the release of Dockamon – PyRx 1.0. This is a work in collaboration with CrescentSilico. Dockamon – PyRx is a structure-based drug design software package containing two integrated software programs: Dockamon and PyRx. Dockamon is software for scoring ligand docked poses using machine learning scoring functions. PyRx is molecular docking…

  • Introduction

    —

    by

    sargis
    in

    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.…

  • Consulting

    —

    by

    sargis
    in

    We are happy to provide PyRx consulting services. We know PyRx better than anyone in the world and can help you customize PyRx for your project and workflows. You can schedule 30 minute meeting to describe your project or use the form below to get started. Please use Discussion forum to ask questions and participate…

  • Our Customers Include

    —

    by

    sargis
    in

    Our Customers Include

  • PyRx 1.0 Release Announcement

    —

    by

    sargis
    in

    We are pleased to announce the release of PyRx 1.0. PyRx is an award winning virtual screening tool used and loved by scientists worldwide. The following are new features included in this release: Added similarity search for the Vina and AutoDock Wizards to find similar compounds in PubChem. You can now right-click on any of…

  • PyRx Wins Awards from SourceForge

    —

    by

    sargis
    in

    PyRx has been recognized with the following awards by SourceForge: Community Leader Community Choice Open Source Excellence SourceForge Favorite Community Choice SourceForge Favorite Community Leader Open Source Excellence These honors are awarded only to select projects that have reached significant milestones in terms of downloads and user engagement from the SourceForge community. This is a…

  • Looking for a Co-founder to Work On PyRx

    —

    by

    sargis
    in

    We are looking for a co-founder to work on PyRx. Someone who knows Python and computational chemistry and can contribute to this project. If you are interested, please email your Resume to dallakyans@gmail.com. The screenshot below is from zoominfo. The numbers are not accurate, but nice to have.

  • PyRx 0.9.9 Release Announcement

    —

    by

    sargis
    in

    We are pleased to announce the release of PyRx 0.9.9. This is the first release since COVID-19 pandemic. This pandemic showed how important open science is for fighting emerging diseases. Since the earlier days PyRx has been actively used to find treatment for COVID-19 and there has been numerous publications using PyRx to find potential…

  • Protein-ligand virtual docking using PyRx | Computational biology | Bioinformatics | Akash Mitra

    —

    by

    sargis
    in

  • Older Publications Using PyRx

    —

    by

    sargis
    in

    The following are older publications where PyRx has been mentioned. Please let us know if we miss any citation. Thank you all for using PyRx! Exploring common pathogenic association between Epstein Barr virus infection and long-COVID by integrating RNA-Seq and molecular dynamics simulations Kanwal A, Zhang Z. Front Immunol. 2024 Sep 26;15:1435170. Therapeutic potential of…