Predicting proteinase specificities from free energy calculations

Journal of Molecular Graphics and Modelling

Volumn 25, Issue 2, 2006, Pages 176-185

  Mekonnen, Seble Merid ^a   Olufsen, Magne ^a   Smalås, Arne O ^a   Brandsdal, Bjørn O ^a  

^a UNIVERSITY OF TROMSØ   (Norway)

Author keywords

Free energy calculations; Molecular dynamics simulations; Protein specificity; Serine proteinases

Indexed keywords

FREE ENERGY CALCULATIONS; MOLECULAR DYNAMICS SIMULATIONS; PROTEIN SPECIFICITY; SERINE PROTEINASES;

BINDING ENERGY; ENZYMES; HYDROPHOBICITY; MOLECULAR DYNAMICS; PROTEINS;

FREE ENERGY;

EGLIN C; PROLINE; PROTEIN INHIBITOR; PROTEINASE; PROTEINASE K; SUBTILISIN; THERMITASE; TRYPSIN;

AMINO ACID SUBSTITUTION; ARTICLE; COMPLEX FORMATION; CRYSTAL STRUCTURE; ENZYME SPECIFICITY; MOLECULAR DYNAMICS; MONTE CARLO METHOD; PKA; PRIORITY JOURNAL; PROTEIN PROTEIN INTERACTION; PROTON TRANSPORT; SEQUENCE HOMOLOGY; SITE DIRECTED MUTAGENESIS; STREPTOMYCES GRISEUS; THERMOSTABILITY;

ALGORITHMS; BINDING SITES; COMPUTER SIMULATION; ENDOPEPTIDASE K; ENDOPEPTIDASES; MODELS, MOLECULAR; PROTEIN BINDING; PROTEINS; SERINE ENDOPEPTIDASES; SERINE PROTEINASE INHIBITORS; STRUCTURE-ACTIVITY RELATIONSHIP; SUBTILISINS; THERMODYNAMICS; X-RAY DIFFRACTION;

EID: 33748546937     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2005.11.005     Document Type: Article

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