Editorial Guidelines for Computational Studies of Ligand Binding Using MM/PBSA and MM/GBSA Approximations Wisely.

Autor: Roux B; Department of Biochemistry and Molecular Biology, The University of Chicago, Chicago, Illinois 60637, United States., Chipot C; Department of Biochemistry and Molecular Biology, The University of Chicago, Chicago, Illinois 60637, United States.; Laboratoire International Associé Centre National de la Recherche Scientifique et University of Illinois at Urbana-Champaign, UMR n°7019, Université de Lorraine, 54506 Vandœuvre-lès-Nancy cedex, France.; Department of Physics and Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, United States.
Jazyk: angličtina
Zdroj: The journal of physical chemistry. B [J Phys Chem B] 2024 Dec 12; Vol. 128 (49), pp. 12027-12029. Date of Electronic Publication: 2024 Dec 02.
DOI: 10.1021/acs.jpcb.4c06614
Databáze: MEDLINE