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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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| Publicat a: | J Comput Chem |
|---|---|
| Autors principals: | , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
2019
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| Matèries: | |
| Accés en línia: | 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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