Machine Learning-Enhanced Calculation of Quantum-Classical Binding Free Energies.

BOLD-100 - Bold Therap

http://www.ncbi.nlm.nih.gov/pubmed/40762518

Anders Krogh; F Emil Thomasen; Frederik E Knudsen; Gemma C Solomon; Kresten Lindorff-Larsen; Marco Eckhoff; Markus Reiher; Matthew S Teynor; Moritz Bensberg; Raphael T Husistein; Thomas Weymuth; Valentina Sora; William Bro-Jørgensen

Aug 5, 2025