Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
Non-bonded force field parameters from MBIS partitioning of the molecular electron density improve CB7 host-guest affinity predictions
, Authors:
Duvan Gonzalez, Luis Macaya, Carlos Castillo-Orellana, Toon Verstraelen, Stefan Vogt-Geisse, Esteban Vöhringer-Martinez
Version 2 posted 27 May 2022
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