TSAR, a new graph-theoretical approach to computational modeling of protein side-chain flexibility: Modeling of ionization properties of proteins

Proteins: Structure, Function and Bioinformatics

Volumn 79, Issue 9, 2011, Pages 2693-2710

  Stroganov, Oleg V ^a,b   Novikov, Fedor N ^a   Zeifman, Alexey A ^b   Stroylov, Viktor S ^a   Chilov, Ghermes G ^a,b  

^a MolTech Ltd   (Russian Federation)

^b N D ZELINSKY INSTITUTE OF ORGANIC CHEMISTRY   (Russian Federation)

Author keywords

Amino acid pK a; PK a modeling; Protein ionization properties; Protein pK a; TSAR

Indexed keywords

AMINO ACID; ASPARTIC ACID; GLUTAMIC ACID; HISTIDINE; LYSINE; PROTEIN; TYROSINE;

ARTICLE; CHEMICAL BINDING; COMPUTER PROGRAM; HYDROGEN BOND; IONIZATION; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN FUNCTION; SCORING SYSTEM; THERMODYNAMIC SAMPLING OF AMINO ACID RESIDUE; THERMODYNAMICS;

ALGORITHMS; AMINO ACIDS; CATALYTIC DOMAIN; COMPUTATIONAL BIOLOGY; COMPUTER SIMULATION; HYDROGEN BONDING; MODELS, MOLECULAR; PLIABILITY; PROTEINS; RIBONUCLEASE H; SOFTWARE; STATIC ELECTRICITY; THERMODYNAMICS;

EID: 80051563769     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.23099     Document Type: Article

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