SCOPUS 정보 검색 플랫폼

Journal of Computer-Aided Molecular Design

Volumn 25, Issue 6, 2011, Pages 583-597

Quantum mechanics study of the hydroxyethylamines-BACE-1 active site interaction energies

(3) Gueto Tettay, Carlos a Drosos, Juan Carlos a Vivas Reyes, Ricardo a

a UNIVERSIDAD DE CARTAGENA (Colombia)

Author keywords

Alzheimer's disease; BACE 1; Counterpoise; DFT; Hydroxyethylamine inhibitors; Interaction energy; X3LYP

Indexed keywords

DENSITY FUNCTIONAL THEORY; DESIGN FOR TESTABILITY; GLYCOPROTEINS; HYDROPHOBICITY; NEURODEGENERATIVE DISEASES; PEPTIDES; QUANTUM THEORY;

ACTIVE SITE; ALZHEIMERS DISEASE; BACE-1; COUNTERPOISE; DFT; HYDROPHOBIC INTERACTIONS; HYDROXYETHYLAMINE INHIBITOR; INTERACTION ENERGIES; SITE INTERACTION; X3LYP;

LIGANDS;

ARGININE; ASPARAGINE; ASPARTIC ACID; BETA SECRETASE 1; BETA SECRETASE 1 INHIBITOR; BETA SECRETASE INHIBITOR; GLYCINE; HYDROXYETHYLAMINE INHIBITOR; ISOLEUCINE; LEUCINE; THREONINE; TRYPTOPHAN; TYROSINE; UNCLASSIFIED DRUG;

ALZHEIMER DISEASE; ARTICLE; COMPLEX FORMATION; CONTROLLED STUDY; CORRELATION COEFFICIENT; DENSITY FUNCTIONAL THEORY; DRUG DESIGN; DRUG STRUCTURE; ENZYME ACTIVE SITE; GEOMETRY; HYDROGEN BOND; HYDROPHOBICITY; PRIORITY JOURNAL; PROTON TRANSPORT; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTUM MECHANICS;

EID: 80051550298 PISSN: 0920654X EISSN: 15734951 Source Type: Journal
DOI: 10.1007/s10822-011-9443-z Document Type: Article

Times cited : (18)

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