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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...
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| 出版年: | J Chem Inf Model |
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| 主要な著者: | , |
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
2021
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| 主題: | |
| オンライン･アクセス: | 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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