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MedusaDock 2.0: Efficient and Accurate Protein-Ligand Docking With Constraints
Molecular docking is the key ingredient of virtual drug screening, a promising and costeffective approach for finding new drugs. A critical limitation of this approach is the inadequate sampling efficiency of both ligand and/or receptor conformations for finding the lowest energy bound state. To cir...
Enregistré dans:
| Publié dans: | J Chem Inf Model |
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| Auteurs principaux: | , |
| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
2019
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| Sujets: | |
| Accès en ligne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6597311/ https://ncbi.nlm.nih.gov/pubmed/30946779 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.8b00905 |
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