Scientific Data (Apr 2022)

AB-DB: Force-Field parameters, MD trajectories, QM-based data, and Descriptors of Antimicrobials

Silvia Gervasoni,
Giuliano Malloci,
Andrea Bosin,
Attilio V. Vargiu,
Helen I. Zgurskaya,
Paolo Ruggerone

Affiliations

Silvia Gervasoni: University of Cagliari, Department of Physics
Giuliano Malloci: University of Cagliari, Department of Physics
Andrea Bosin: University of Cagliari, Department of Physics
Attilio V. Vargiu: University of Cagliari, Department of Physics
Helen I. Zgurskaya: University of Oklahoma, Department of Chemistry and Biochemistry
Paolo Ruggerone: University of Cagliari, Department of Physics

DOI: https://doi.org/10.1038/s41597-022-01261-1
Journal volume & issue: Vol. 9, no. 1
pp. 1 – 12

Abstract

Measurement(s) molecular physical property analysis objective Technology Type(s) Computer Modeling

Published in Scientific Data

ISSN: 2052-4463 (Online)
Publisher: Nature Portfolio
Country of publisher: United Kingdom
LCC subjects: Science
Website: https://www.nature.com/sdata/

About the journal