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ProBiS H2O MD Approach for Identification of Conserved Water Sites in Protein Structures for Drug Design‡
[Image: see text] The ProBiS H2O MD approach for identification of conserved waters and water sites of interest in macromolecular systems, which is becoming a typical step in a structure-based drug design or macromolecular study in general, is described. This work explores an extension of the ProBiS...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7236268/ https://www.ncbi.nlm.nih.gov/pubmed/32435399 http://dx.doi.org/10.1021/acsmedchemlett.9b00651 |