MSPocket: an orientation-independent algorithm for the detection of ligand binding pockets | Zendy

Hongbo Zhu | Zendy; M. Teresa Pisabarro | Zendy

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MSPocket: an orientation-independent algorithm for the detection of ligand binding pockets

Author(s) -

Hongbo Zhu,

M. Teresa Pisabarro

Publication year - 2010

Publication title -

bioinformatics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 3.599

H-Index - 390

eISSN - 1367-4811

pISSN - 1367-4803

DOI - 10.1093/bioinformatics/btq672

Subject(s) - computer science , grid , orientation (vector space) , docking (animal) , algorithm , ligand (biochemistry) , source code , representation (politics) , protein–ligand docking , data mining , chemistry , virtual screening , mathematics , programming language , computational chemistry , geometry , molecular dynamics , medicine , biochemistry , nursing , receptor , politics , political science , law

Identification of ligand binding pockets on proteins is crucial for the characterization of protein functions. It provides valuable information for protein-ligand docking and rational engineering of small molecules that regulate protein functions. A major number of current prediction algorithms of ligand binding pockets are based on cubic grid representation of proteins and, thus, the results are often protein orientation dependent.

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