Accurate charge density of the tripeptide Ala-Pro-Ala with the maximum entropy method (MEM): Influence of data resolution

Acta Crystallographica Section B: Structural Science

Volumn 63, Issue 4, 2007, Pages 633-643

  Hofmann, Andreas ^a   Kalinowski, Roman ^b   Luger, Peter ^b   Van Smaalen, Sander ^a  

^a UNIVERSITY OF BAYREUTH   (Germany)

^b FREIE UNIVERSITÄT BERLIN   (Germany)

Author keywords

Accurate electron density; Atoms in molecules theory; Maximum entropy method; Multipole refinement; Peptides

Indexed keywords

CRYSTAL ATOMIC STRUCTURE; DATA REDUCTION; ELECTRIC CHARGE; HEAT TREATMENT; PEPTIDES;

ACCURATE ELECTRON DENSITY; ATOMS IN MOLECULES THEORY; MAXIMUM ENTROPY METHOD; MULTIPOLE REFINEMENT;

CARRIER CONCENTRATION;

ALANINE; PEPTIDE; PROLINE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; CONFORMATION; ELECTRON; ENTROPY; HYDROGEN BOND; METHODOLOGY; PROTEIN CONFORMATION; STATISTICAL ANALYSIS; STATISTICAL MODEL; TEMPERATURE; X RAY CRYSTALLOGRAPHY; X RAY DIFFRACTION;

ALANINE; CRYSTALLOGRAPHY, X-RAY; DATA INTERPRETATION, STATISTICAL; ELECTRONS; ENTROPY; HYDROGEN BONDING; MODELS, STATISTICAL; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; PEPTIDES; PROLINE; PROTEIN CONFORMATION; SOFTWARE; TEMPERATURE; X-RAY DIFFRACTION;

EID: 34547171647     PISSN: 01087681     EISSN: 01087681     Source Type: Journal    
DOI: 10.1107/S0108768107029655     Document Type: Article

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