A comparative study on the experimentally derived electron densities of three protease inhibitor model compounds

Organic and Biomolecular Chemistry

Volumn 6, Issue 13, 2008, Pages 2295-2307

  Grabowsky, Simon ^a   Pfeuffer, Thomas ^b   Morgenroth, Wolfgang ^c,d,e   Paulmann, Carsten ^e,f   Schirmeister, Tanja ^b   Luger, Peter ^a  

^a FREIE UNIVERSITÄT BERLIN   (Germany)

^b UNIVERSITY OF WÜRZBURG   (Germany)

^c UNIVERSITY OF GÖTTINGEN   (Germany)

^d AARHUS UNIVERSITY   (Denmark)

^e DESY   (Germany)

^f UNIVERSITY OF HAMBURG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AMINES; AMINO ACIDS; ARCHITECTURAL DESIGN; ATOMIC PHYSICS; ATOMS; CARBON; CARRIER CONCENTRATION; CHARGED PARTICLES; CHEMOTHERAPY; CRYSTALLOGRAPHY; DRUG DELIVERY; DRUG DOSAGE; DRUG INTERACTIONS; DRUG THERAPY; ELECTRON DENSITY MEASUREMENT; ENZYME INHIBITION; MATHEMATICAL MODELS; MIXTURES; NANOSTRUCTURED MATERIALS; OLEFINS; ORGANIC ACIDS; PARTICLE ACCELERATORS; RADIATION; SET THEORY; SINGLE CRYSTALS; STEREOSELECTIVITY; SYNCHROTRONS; TELLURIUM COMPOUNDS; X RAY ANALYSIS; X RAY DIFFRACTION ANALYSIS; X RAYS;

ACTIVE SITES; ATOMS-IN-MOLECULES (AIM); AZIRIDINE; BADER'S THEORY; CARBON ATOMS; COMPARATIVE STUDIES; DATA SETS; DRUG DESIGNS; ELECTRON DENSITIES; ELECTRON DENSITY DISTRIBUTIONS; ELECTROSTATIC POTENTIAL (ESP); HIGH RESOLUTIONS; IN ORDER; INTERACTION ENERGIES; LOW TEMPERATURE (LTR); MODEL COMPOUNDS; NUCLEOPHILIC ATTACKS; OXIRANE; PROTEASE (PR) INHIBITORS; RATIONAL DESIGN; REGIO-SELECTIVE; REPRODUCIBILITY; ROYAL SOCIETY OF CHEMISTRY (RSC); SOURCE FUNCTIONS; X RADIATION; X RAY DIFFRACTION (XRD); X-RAY SOURCES;

ELECTRONS;

ALKENE; AZIRIDINE DERIVATIVE; ETHYLENE OXIDE; ORGANIC COMPOUND; PROTEINASE INHIBITOR;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; CONFORMATION; DRUG DESIGN; DRUG SCREENING; ELECTRICITY; ELECTRON; HYDROGEN BOND; SYNCHROTRON; TEMPERATURE; X RAY CRYSTALLOGRAPHY;

ALKENES; AZIRIDINES; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; DRUG EVALUATION, PRECLINICAL; ELECTRONS; ELECTROSTATICS; ETHYLENE OXIDE; HYDROGEN BONDING; MODELS, MOLECULAR; MOLECULAR CONFORMATION; ORGANIC CHEMICALS; PROTEASE INHIBITORS; SYNCHROTRONS; TEMPERATURE;

EID: 45449092153     PISSN: 14770520     EISSN: None     Source Type: Journal    
DOI: 10.1039/b802831a     Document Type: Article

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