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Effective Inclusion of Electronic Polarization Improves the Description of Electrostatic Interactions: The prosECCo75 Biomolecular Force Field.
Nencini R, Tempra C, Biriukov D, Riopedre-Fernandez M, Cruces Chamorro V, Polák J, Mason PE, Ondo D, Heyda J, Ollila OHS, Jungwirth P, Javanainen M, Martinez-Seara H. Nencini R, et al. Among authors: mason pe. J Chem Theory Comput. 2024 Sep 10;20(17):7546-7559. doi: 10.1021/acs.jctc.4c00743. Epub 2024 Aug 26. J Chem Theory Comput. 2024. PMID: 39186899 Free PMC article.
119 results