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| Title: | /AB-DB Sulphonamides - Sulfametrole -1 Sulphonamides - Sulfametrole -1 opt-freq |
| 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: | DFT geometry optimization and frequency analysis in implicit solvent for the [Sulphonamides - Sulfametrole -1] compound included in the AB-DB v2.0 DB (https://mmb.irbbarcelona.org/ABDB/compounds/ABDB037032); MDDB link: [https://mdposit.mddbr.eu/#/id/MD-A007XO] |
| URI: | https://iochem-bd.bsc.es/browse/handle/100/500434 |
| Appears in Collections: | AB-DB dataset - DOI: 10.19061/iochem-bd-6-678 |
Please use this identifier to cite or link to this item:
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