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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...

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Pubblicato in:ACS Med Chem Lett
Autori principali: Jukič, Marko, Konc, Janez, Janežič, Dušanka, Bren, Urban
Natura: Artigo
Lingua:Inglês
Pubblicazione: American Chemical Society 2020
Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC7236268/
https://ncbi.nlm.nih.gov/pubmed/32435399
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsmedchemlett.9b00651
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