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POVME 2.0: An Enhanced Tool for Determining Pocket Shape and Volume Characteristics

[Image: see text] Analysis of macromolecular/small-molecule binding pockets can provide important insights into molecular recognition and receptor dynamics. Since its release in 2011, the POVME (POcket Volume MEasurer) algorithm has been widely adopted as a simple-to-use tool for measuring and chara...

Deskribapen osoa

Gorde:
Xehetasun bibliografikoak
Argitaratua izan da:J Chem Theory Comput
Egile Nagusiak: Durrant, Jacob D., Votapka, Lane, Sørensen, Jesper, Amaro, Rommie E.
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: American Chemical Society 2014
Sarrera elektronikoa:https://ncbi.nlm.nih.gov/pmc/articles/PMC4230373/
https://ncbi.nlm.nih.gov/pubmed/25400521
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct500381c
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