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Identification of Cryptic Binding Sites Using MixMD with Standard and Accelerated Molecular Dynamics
Protein dynamics play an important role in small molecule binding and can pose a significant challenge in the identification of potential binding sites. Cryptic binding sites have been defined as sites which require significant rearrangement of protein structure to become physically accessible to a...
Enregistré dans:
| Publié dans: | J Chem Inf Model |
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| Auteurs principaux: | , |
| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
2021
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| Sujets: | |
| Accès en ligne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8091066/ https://ncbi.nlm.nih.gov/pubmed/33599485 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.0c01002 |
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