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Exploring the Landscape of Protein-Ligand Interaction Energy Using Probabilistic Approach
Analysis of protein/small molecule interactions is crucial in the discovery of new drug candidates and lead structure optimization. Small biomolecules (ligands) are highly flexible and may adopt numerous conformations upon binding to the protein. Using computer simulations instead of sophisticated l...
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| Autores principales: | , |
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| Formato: | Artigo |
| Lenguaje: | Inglês |
| Publicado: |
Mary Ann Liebert, Inc.
2011
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| Materias: | |
| Acceso en línea: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3117400/ https://ncbi.nlm.nih.gov/pubmed/21091064 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1089/cmb.2010.0017 |
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