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EDock: blind protein–ligand docking by replica-exchange monte carlo simulation
Protein–ligand docking is an important approach for virtual screening and protein function annotation. Although many docking methods have been developed, most require a high-resolution crystal structure of the receptor and a user-specified binding site to start. This information is, however, not ava...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7251717/ https://www.ncbi.nlm.nih.gov/pubmed/33430966 http://dx.doi.org/10.1186/s13321-020-00440-9 |