Protein flexibility and ligand recognition: Challenges for molecular modeling

Current Topics in Medicinal Chemistry

Volumn 11, Issue 2, 2011, Pages 192-210

  Spyrakis, Francesca ^a,b   BidonChanal, Axel ^c   Barril, Xavier ^c,d   Luque, F Javier ^c  

^a UNIVERSITY OF PARMA   (Italy)

^b NATIONAL INSTITUTE OF BIOSTRUCTURES AND BIOSYSTEMS   (Italy)

^c UNIVERSITY OF BARCELONA   (Spain)

^d INSTITUCIÓ CATALANA DE RECERCA I ESTUDIS AVANÇATS ICREA   (Spain)

Author keywords

Conformational flexibility; Drug design; Induced fit; Ligand receptor complex; Molecular dynamics; Molecular recognition

Indexed keywords

CALMODULIN; DECAMETHONIUM; DECIDIUM; DIPEPTIDYL CARBOXYPEPTIDASE INHIBITOR; DONEPEZIL; GALLAMINE; GLUTAMATE DEHYDROGENASE; HEAT SHOCK PROTEIN 90; HUPERZINE A; HUPRINE X; HUPYRIDONE; NF 595; PROPIDIUM IODIDE; PROTEIN; PROTEIN KINASE; PROTEIN KINASE INHIBITOR; PROTEIN SUBUNIT; PROTEIN TYROSINE PHOSPHATASE 1B; PROTEIN TYROSINE PHOSPHATASE 1B INHIBITOR; RENIN; TACRINE; TACRINE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CONFORMATIONAL TRANSITION; CRYSTAL STRUCTURE; LIGAND BINDING; MOLECULAR DYNAMICS; MOLECULAR MODEL; MOLECULAR RECOGNITION; PROTEIN CONFORMATION; PROTEIN DOMAIN; PROTEIN FUNCTION; PROTEIN INTERACTION; PROTEIN MODIFICATION; PROTEIN STRUCTURE; STRUCTURE ACTIVITY RELATION;

EID: 78649898335     PISSN: 15680266     EISSN: None     Source Type: Journal    
DOI: 10.2174/156802611794863571     Document Type: Article

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