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MM-PBSA Captures Key Role of Intercalating Water Molecules at a Protein−Protein Interface
The calculation of protein interaction energetics is of fundamental interest, yet accurate quantities are difficult to obtain due to the complex and dynamic nature of protein interfaces. This is further complicated by the presence of water molecules, which can exhibit transient interactions of varia...
| Autores principales: | , , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2009
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2651627/ https://www.ncbi.nlm.nih.gov/pubmed/19461869 http://dx.doi.org/10.1021/ct8003707 |