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POVME 3.0: Software for Mapping Binding Pocket Flexibility

We present a substantial update to the open-source POVME binding pocket analysis software. New capabilities of POVME 3.0 include a flexible chemical coloring scheme for feature identification, post-analysis tools for comparing large ensembles of pockets (e.g., from molecular dynamics simulations), a...

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Gorde:
Xehetasun bibliografikoak
Argitaratua izan da:J Chem Theory Comput
Egile Nagusiak: Wagner, Jeffrey R., Sørensen, Jesper, Hensley, Nathan, Wong, Celia, Zhu, Clare, Perison, Taylor, Amaro, Rommie E.
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: 2017
Gaiak:
Sarrera elektronikoa:https://ncbi.nlm.nih.gov/pmc/articles/PMC5751414/
https://ncbi.nlm.nih.gov/pubmed/28800393
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.7b00500
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