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Molecular Environment-Specific Atomic Charges Improve Binding Affinity Predictions of SAMPL5 Host–Guest Systems

Publications

31 - October - 2021

The Quantum Chemistry and Molecular Modeling group at Universidad de Concepción is dedicated to advancing chemical knowledge through the use of cutting edge computational and theoretical methods.

QCMM 2020

Departamento de Físico-Química Facultad de Ciencias Químicas Universidad de Concepción.

Edmundo Larenas 129. Concepción +56412204324 qcmm@udec.cl

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