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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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| Udgivet i: | Molecules |
|---|---|
| Main Authors: | , , , , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
MDPI
2015
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6332394/ https://ncbi.nlm.nih.gov/pubmed/26247924 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules200813997 |
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