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Accelerating AutoDock4 with GPUs and Gradient-Based Local Search
AutoDock4 is a widely used program for docking small molecules to macromolecular targets. It describes ligand-receptor interactions using a physics-inspired scoring function that has been proven useful in a variety of drug discovery projects. However, compared to more modern and recent software, Aut...
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| Publicado no: | J Chem Theory Comput |
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| Main Authors: | , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2021
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8063785/ https://ncbi.nlm.nih.gov/pubmed/33403848 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.0c01006 |
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