Category: Introduction

  • Publications Using PyRx

    The following publications mention PyRx. PyRx is also cited in patent applications. Thank you all for using PyRx! Conformational signatures of native ligand and pharmacochaperone binding in rhodopsin Pashandi Z, Ortega JT, Miyagi M, Golczak M, Jastrzebska B. Structure. 2026 Oct 1;34(10):1390-1404.e4. Synthesis and molecular docking of novel pyrazole, pyrimidine, and pyridine derivatives as potent…

  • Introduction

    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.…

  • Our Customers Include

    Our Customers Include