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AutoGridFR: improvements on AutoDock affinity maps and associated software tools
Precomputed affinity maps are used by AutoDock to efficiently describe rigid biomolecules called receptors in automated docking. These maps greatly speed up the docking process and allow users to experiment with the forcefield. Here we present AutoGridFR (AGFR): a software tool facilitating the calc...
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| Publicado no: | J Comput Chem |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2019
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7737998/ https://ncbi.nlm.nih.gov/pubmed/31436329 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.26054 |
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