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Carlos Castillo-Orellana
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Nonbonded force field parameters derived from Atom-In-Molecules methods reproduce interactions in proteins from first--principles
6 days ago by
Carlos Castillo-Orellana
and
others
Theoretical and Computational Chemistry
,
Computational Chemistry and Modeling
Non-bonded force field parameters from MBIS partitioning of the molecular electron density improve CB7 host-guest affinity predictions
27 May 2022 by
Duvan Gonzalez
and
others
at
Universidad de Concepcion
Computational Chemistry and Modeling
,
Biological and Medicinal Chemistry
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Computational Chemistry and Modeling
Biological and Medicinal Chemistry
Quantum Mechanics
Theoretical and Computational Chemistry
Physical Chemistry
Theory
