Structural determinants of ligand imprinting: A molecular dynamics simulation study of subtilisin in aqueous and apolar solvents

Protein Science

Volumn 20, Issue 2, 2011, Pages 379-386

  Lousa, Diana ^a   Baptista, António M ^a   Soares, Cláudio M ^a  

^a INSTITUTO DE TECNOLOGIA QUÍMICA E BIOLÓGICA   (Portugal)

Author keywords

Catalysis; Enzyme memory; Enzymes in nonaqueous solvents; Ligand imprinting; MD simulation; Subtilisin

Indexed keywords

HEXANE; LIGAND; SOLVENT; SUBTILISIN; WATER;

AQUEOUS SOLUTION; ARTICLE; CATALYSIS; CONFORMATIONAL TRANSITION; ENZYME ACTIVE SITE; MOLECULAR DOCKING; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTEIN STRUCTURE; SIMULATION;

CATALYTIC DOMAIN; ENZYME STABILITY; HEXANES; LIGANDS; MOLECULAR DYNAMICS SIMULATION; PROTEIN STRUCTURE, TERTIARY; REPRODUCIBILITY OF RESULTS; SUBTILISIN; WATER;

EID: 79251557782     PISSN: 09618368     EISSN: 1469896X     Source Type: Journal    
DOI: 10.1002/pro.569     Document Type: Article

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