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

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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Bibliographic Details
Main Authors: Giuliano Malloci, Attilio Vittorio Vargiu, Giovanni Serra, Andrea Bosin, Paolo Ruggerone, Matteo Ceccarelli
Format: Article
Language:English
Published: MDPI AG 2015-08-01
Series:Molecules
Subjects:
antimicrobial compounds
molecular databases
all-atom force fields
molecular dynamics simulations
Online Access:http://www.mdpi.com/1420-3049/20/8/13997

Internet

http://www.mdpi.com/1420-3049/20/8/13997

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