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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...
में बचाया:
| में प्रकाशित: | J Comput Chem |
|---|---|
| मुख्य लेखकों: | , , , |
| स्वरूप: | Artigo |
| भाषा: | Inglês |
| प्रकाशित: |
2019
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| विषय: | |
| ऑनलाइन पहुंच: | 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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