SCOPUS 정보 검색 플랫폼

Journal of Computer-Aided Molecular Design

Volumn 25, Issue 1, 2011, Pages 1-12

Challenges in the determination of the binding modes of non-standard ligands in X-ray crystal complexes

(2) Malde, Alpeshkumar K a Mark, Alan E a

a UNIVERSITY OF QUEENSLAND (Australia)

Author keywords

Binding mode; Free energy calculations; Ligand design; Molecular dynamics simulations; X ray crystallography

Indexed keywords

BINDING ENERGY; COMPLEXATION; CRYSTAL ORIENTATION; FREE ENERGY; MOLECULAR DYNAMICS; MOLECULAR ORIENTATION; X RAY CRYSTALLOGRAPHY; X RAY DIFFRACTION;

BINDING MODES; DYNAMICS SIMULATION; FREE-ENERGY CALCULATIONS; LIGAND DESIGN; MOLECULAR DYNAMIC SIMULATION; POSITION-ORIENTATION; PROTONATIONS; STRUCTURE BASED DRUG DESIGNS; TAUTOMERICS; X RAY CRYSTALS;

LIGANDS;

ARTICLE; BINDING AFFINITY; BINDING SITE; CHEMICAL ANALYSIS; COMPLEX FORMATION; CRYSTAL STRUCTURE; DENSITY GRADIENT; HIGH THROUGHPUT SCREENING; LIGAND BINDING; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTON TRANSPORT; STATIC ELECTRICITY; STEREOCHEMISTRY; STRUCTURE ACTIVITY RELATION; THERMODYNAMICS; VALIDATION PROCESS; X RAY CRYSTALLOGRAPHY;

EID: 78651250896 PISSN: 0920654X EISSN: 15734951 Source Type: Journal
DOI: 10.1007/s10822-010-9397-6 Document Type: Article

Times cited : (26)

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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.