Real spherical harmonic expansion coefficients as 3D shape descriptors for protein binding pocket and ligand comparisons | Zendy

Richard J. Morris | Zendy; Rafaël Najmanovich | Zendy; Abdullah Kahraman | Zendy; Janet M. Thornton | Zendy

Open Access

Real spherical harmonic expansion coefficients as 3D shape descriptors for protein binding pocket and ligand comparisons

Author(s) -

Richard J. Morris,

Rafaël Najmanovich,

Abdullah Kahraman,

Janet M. Thornton

Publication year - 2005

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/bti337

Subject(s) - spherical harmonics , computer science , pipeline (software) , bottleneck , function (biology) , similarity (geometry) , software , set (abstract data type) , protein structure , protein data bank (rcsb pdb) , biological system , algorithm , artificial intelligence , mathematics , physics , biology , mathematical analysis , nuclear magnetic resonance , evolutionary biology , embedded system , image (mathematics) , programming language

An increasing number of protein structures are being determined for which no biochemical characterization is available. The analysis of protein structure and function assignment is becoming an unexpected challenge and a major bottleneck towards the goal of well-annotated genomes. As shape plays a crucial role in biomolecular recognition and function, the examination and development of shape description and comparison techniques is likely to be of prime importance for understanding protein structure-function relationships.

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