Request demo

Modular and Interoperable Workflows for Benchmarking Alchemical Binding Free Energy Calculation Methodologies

  • Citation
SHARE

Modular and Interoperable Workflows for Benchmarking Alchemical Binding Free Energy Calculation Methodologies

Herz A, Bissaro M, Esposito C, Michel J

ChemRxiv | June 2025

View publication

Related Science Resources

Application of generative AI to design covalent inhibitors of prolyl oligopeptidase
Generative chemistry is revolutionizing drug discovery, using AI to efficiently explore entirely new areas of chemical space in the search for...
What’s new in Flare™ V12: significant enhancements to FEP and structure-based methods
Find out what’s new in Flare V12 in our latest webinar
Flare™ V12 released: Significant improvements to FEP calculations and structure-based methods
We are pleased to announce the release of Flare V12, which introduces a range of new capabilities and enhancements aimed at improving the efficiency,...

Subscribe & Don't Miss Out

Receive our newsletter to be among the first to hear about product releases, case studies, opinion articles, events and more.
Subscribe