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| Title: | /AB-DB Aminocoumarins - Novclobiocin_101 -1 Aminocoumarins - Novclobiocin_101 -1 elec-pot |
| Authors: | Hospital Gasch, Adam Malloci, Giuliano Gervasoni, Silvia |
| Keywords: | Molecular dynamics Drug discovery Quantum Chemistry antimicrobials |
| Issue Date: | 2-Jul-2026 |
| Publisher: | Barcelona Supercomputing Center |
| Abstract: | Single-point energy calculation in vacuum for the [Aminocoumarins - Novclobiocin_101 -1] compound included in the AB-DB v2.0 DB (https://mmb.irbbarcelona.org/ABDB/compounds/ABDB001004); MDDB link: [https://mdposit.mddbr.eu/#/id/MD-A007M1] |
| URI: | https://iochem-bd.bsc.es/browse/handle/100/499891 |
| Appears in Collections: | AB-DB dataset - DOI: 10.19061/iochem-bd-6-678 |
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