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Volumn 25, Issue 8, 2011, Pages 729-742

A QM/MM study of the binding of RAPTA ligands to cathepsin B

Author keywords

Anticancer drugs; Cathepsin B; Continuum solvation; Ligand binding affinities; QM MM; QM MM PBSA; Ruthenium

Indexed keywords

BINDING ENERGY; COMPLEXATION; CRYSTAL STRUCTURE; LIGANDS; METAL COMPLEXES; MOLECULAR DYNAMICS; MOLECULAR MODELING; QUANTUM THEORY; SOLVATION;

EID: 80055066394     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-011-9448-7     Document Type: Article
Times cited : (35)

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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.