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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...
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| Publicat a: | J Cheminform |
|---|---|
| Autors principals: | , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
Springer International Publishing
2020
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7251717/ https://ncbi.nlm.nih.gov/pubmed/33430966 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-020-00440-9 |
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