Transplant-insert-constrain-relax-assemble (TICRA): Protein-ligand complex structure modeling and application to kinases

Journal of Chemical Information and Modeling

Volumn 51, Issue 1, 2011, Pages 52-60

  Meshkat, Siavash ^a   Klon, Anthony E ^a   Zou, Jinming ^a   Wiseman, Jeffrey S ^a,b   Konteatis, Zenon ^a  

^a Ansaris   (United States)

^b Pharmatrope Ltd   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; COMPLEXATION; CRYSTAL STRUCTURE; CRYSTALS; ENZYME INHIBITION; X RAYS;

ACTIVE COMPOUNDS; COGNATE LIGANDS; HOMOLOGOUS PROTEINS; PROTEIN KINASE INHIBITORS; PROTEIN-LIGAND COMPLEXES; STRUCTURAL INFORMATION; STRUCTURE BASED DRUG DESIGNS; X RAY CRYSTAL STRUCTURES;

LIGANDS;

ADENOSINE TRIPHOSPHATE; LIGAND; MITOGEN ACTIVATED PROTEIN KINASE P38; PROTEIN; PROTEIN KINASE; PROTEIN KINASE INHIBITOR; PROTEIN KINASE LCK;

ALLOSTERISM; AMINO ACID SEQUENCE; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; DRUG ANTAGONISM; METABOLISM; MOLECULAR GENETICS; PROTEIN CONFORMATION; PROTEIN MOTIF; X RAY CRYSTALLOGRAPHY;

ADENOSINE TRIPHOSPHATE; ALLOSTERIC REGULATION; AMINO ACID MOTIFS; AMINO ACID SEQUENCE; CRYSTALLOGRAPHY, X-RAY; LIGANDS; LYMPHOCYTE SPECIFIC PROTEIN TYROSINE KINASE P56(LCK); MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; P38 MITOGEN-ACTIVATED PROTEIN KINASES; PROTEIN CONFORMATION; PROTEIN KINASE INHIBITORS; PROTEIN KINASES; PROTEINS;

EID: 79952584595     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci100256u     Document Type: Article

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