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Updated: Apr 17, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Modulating weak interactions for molecular recognition: a dynamic combinatorial analysis for assessing the

Ester Jiménez-Moreno1, Ana M Gómez, Agatha Bastida

  • 1Departamento de Química Bio-orgánica, Instituto de Química Orgánica General (IQOG-CSIC), Juan de la Cierva 3, E-28006 Madrid (Spain).

Angewandte Chemie (International Ed. in English)
|February 10, 2015
PubMed

Keywords:
CH-π interactionsdrug designdynamic combinatorial chemistrymolecular recognition

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