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Volumn 24, Issue 9, 2010, Pages 719-732

Flexibility of a biotinylated ligand in artificial metalloenzymes based on streptavidin-an insight from molecular dynamics simulations with classical and ab initio force fields

Author keywords

(Strept)avidin; Biotinylation; Classical and ab initio force field molecular dynamics; DFT; Enantioselectivity

Indexed keywords

CALCULATIONS; CATALYST ACTIVITY; COENZYMES; COMPLEX NETWORKS; CRYSTAL STRUCTURE; ENANTIOSELECTIVITY; HYDROGEN BONDS; KETONES; LIGANDS; METALS; SCAFFOLDS; SCAFFOLDS (BIOLOGY);

EID: 77955657280     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-010-9369-x     Document Type: Article
Times cited : (5)

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