Modeling ?-lactam interactions in aqueous solution through combined quantum mechanics-molecular mechanics methods

6533b857fe1ef96bd12b43c5

RESEARCH PRODUCT

Modeling ?-lactam interactions in aqueous solution through combined quantum mechanics-molecular mechanics methods

Estanislao Silla Manuel F. Ruiz-lópez Jesús Pitarch Iñaki Tuñón Juan-luis Pascual-ahuir

subject

Computational Mathematics Molecular dynamics chemistry.chemical_compound Aqueous solution Chemistry Computational chemistry β lactams Lactam Density functional theory General Chemistry Solvent effects Molecular mechanics

year	journal	country	edition	language
1999-10-01	Journal of Computational Chemistry

https://doi.org/10.1002/(sici)1096-987x(199910)20:13<1401::aid-jcc7>3.0.co;2-m

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