An energy-based conformer library for side chain optimization: Improved prediction and adjustable sampling

Proteins: Structure, Function and Bioinformatics

Volumn 80, Issue 9, 2012, Pages 2218-2234

  Subramaniam, Sabareesh ^a   Senes, Alessandro ^a  

^a UNIVERSITY OF WISCONSIN MADISON   (United States)

Author keywords

Conformer library; Modeling; Protein design; Rotamer library; Side chain; Side chain optimization; Structure prediction

Indexed keywords

AMINO ACID; PROTEIN;

ARTICLE; BIOINFORMATICS; COMBINATORIAL LIBRARY; CONTROLLED STUDY; ENERGY BASED LIBRARY; ENERGY TRANSFER; MOLECULAR DOCKING; PREDICTION; PRIORITY JOURNAL; PROCESS OPTIMIZATION; PROTEIN ANALYSIS; PROTEIN CONFORMATION; PROTEIN FUNCTION; PROTEIN STRUCTURE; PROTON TRANSPORT; SAMPLING; SIDE CHAIN OPTIMIZATION;

AMINO ACIDS; COMPUTATIONAL BIOLOGY; CRYSTALLOGRAPHY, X-RAY; DATABASES, PROTEIN; HYDROGEN BONDING; MODELS, CHEMICAL; MODELS, MOLECULAR; PROTEIN CONFORMATION; PROTEINS; STATIC ELECTRICITY; THERMODYNAMICS;

EID: 84864400705     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.24111     Document Type: Article

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