Protein-Ligand Binding Free-Energy Calculations with ARROW─A Purely First-Principles Parameterized Polarizable Force Field.
Nawrocki G, Leontyev I, Sakipov S, Darkhovskiy M, Kurnikov I, Pereyaslavets L, Kamath G, Voronina E, Butin O, Illarionov A, Olevanov M, Kostikov A, Ivahnenko I, Patel DS, Sankaranarayanan SKRS, Kurnikova MG, Lock C, Crooks GE, Levitt M, Kornberg RD, Fain B.
Nawrocki G, et al. Among authors: patel ds.
J Chem Theory Comput. 2022 Dec 13;18(12):7751-7763. doi: 10.1021/acs.jctc.2c00930. Epub 2022 Dec 2.
J Chem Theory Comput. 2022.
PMID: 36459593
Free PMC article.