A Database of Force-Field Parameters, Dynamics, and Properties of Antimicrobial Compounds

We present an on-line database of all-atom force-field parameters and molecular properties of compounds with antimicrobial activity (mostly antibiotics and some beta-lactamase inhibitors). For each compound, we provide the General Amber Force Field parameters for the major species at physiological p...

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Detalles Bibliográficos
Autores principales: Malloci, Giuliano, Vargiu, Attilio Vittorio, Serra, Giovanni, Bosin, Andrea, Ruggerone, Paolo, Ceccarelli, Matteo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2015
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6332394/
https://www.ncbi.nlm.nih.gov/pubmed/26247924
http://dx.doi.org/10.3390/molecules200813997

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6332394/
https://www.ncbi.nlm.nih.gov/pubmed/26247924
http://dx.doi.org/10.3390/molecules200813997

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