Subject:
Chemistry
, Title:
Large-scale collaborative assessment of binding free energy calculations for drug discovery using OpenFE
, Authors:
Hannah M. Baumann, Joshua T. Horton, Michael M. Henry, Alyssa Travitz, Benjamin Ries, Richard J. Gowers, David W. H. Swenson, Iván Pulido, Dominic Rufa, David L. Dotson, Nupur Bansal, Joseph P. Bluck, Howard Broughton, Kira Campbell, Lili Cao, Benedikt Frieg, Vytautas Gapsys, Hendrik Göddeke, Marco Klähn, Sirish Kaushik Lakkaraju, Stephanie M. Linker, Thomas Löhr, Aniket Magarkar, Sergio Pérez-Conesa, Hans E. Purkey, Hayk Saribekyan, Jenke Scheen, Christina E. M. Schindler, Thomas Steinbrecher, Chaya D. Stern, Patricia Suriana, William C. Swope, Gary Tresadern, Lev Tsidilkovski, Binqing Wei, Alexander H. Williams, Yao Wu, Ivy Zhang, John D. Chodera, James R. B. Eastwood, David L. Mobley, Irfan Alibay
Version 1 posted 18 December 2025