Optimized atomic statistical potentials: assessment of protein interfaces and loops | Zendy

Guang Qiang Dong | Zendy; Hao Fan | Zendy; Dina SchneidmanDuhovny | Zendy; Ben Webb | Zendy; Andrej Šali | Zendy

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Optimized atomic statistical potentials: assessment of protein interfaces and loops

Author(s) -

Guang Qiang Dong,

Hao Fan,

Dina SchneidmanDuhovny,

Ben Webb,

Andrej Šali

Publication year - 2013

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/btt560

Subject(s) - statistical model , leverage (statistics) , computer science , benchmark (surveying) , standard deviation , bayesian probability , algorithm , root mean square , hydrogen bond , biological system , chemistry , mathematics , artificial intelligence , molecule , statistics , physics , geodesy , organic chemistry , quantum mechanics , biology , geography

Statistical potentials have been widely used for modeling whole proteins and their parts (e.g. sidechains and loops) as well as interactions between proteins, nucleic acids and small molecules. Here, we formulate the statistical potentials entirely within a statistical framework, avoiding questionable statistical mechanical assumptions and approximations, including a definition of the reference state.

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