Extending RosettaDock with water, sugar, and pH for prediction of complex structures and affinities for CAPRI rounds 20-27

Proteins: Structure, Function and Bioinformatics

Volumn 81, Issue 12, 2013, Pages 2201-2209

  Kilambi, Krishna Praneeth ^a   Pacella, Michael S ^b   Xu, Jianqing ^a   Labonte, Jason W ^a   Porter, Justin R ^c   Muthu, Pravin ^a   Drew, Kevin ^d   Kuroda, Daisuke ^a   Schueler Furman, Ora ^e   Bonneau, Richard ^d   Gray, Jeffrey J ^a  

^a Johns Hopkins University   (United States)

^b Johns Hopkins University   (United States)

^c JOHNS HOPKINS UNIVERSITY   (United States)

^d NEW YORK UNIVERSITY   (United States)

^e HEBREW UNIVERSITY OF JERUSALEM   (Israel)

Author keywords

Binding; CAPRI; Protein docking; Protein interactions

Indexed keywords

DOCKING PROTEIN; HEMAGGLUTININ; MUTANT PROTEIN; SUGAR; WATER; XYLAN ENDO 1,3 BETA XYLOSIDASE;

ALGORITHM; ARTICLE; BINDING AFFINITY; BINDING SITE; CARBOHYDRATE ANALYSIS; COMPUTER PREDICTION; CRYSTAL STRUCTURE; MOLECULAR DOCKING; PH; PRIORITY JOURNAL; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN STRUCTURE; PROTEIN TARGETING; PROTON TRANSPORT; RECEIVER OPERATING CHARACTERISTIC;

BINDING; CAPRI; PROTEIN DOCKING; PROTEIN INTERACTIONS;

CARBOHYDRATES; COLICINS; COMPUTATIONAL BIOLOGY; DEOXYRIBONUCLEASES; HEPARIN; HUMANS; HYDROGEN-ION CONCENTRATION; MOLECULAR DOCKING SIMULATION; MULTIPROTEIN COMPLEXES; MUTATION; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN STRUCTURE, TERTIARY; SOFTWARE; WATER;

EID: 84888308467     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.24425     Document Type: Article

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