Interaction energies between glycopeptide antibiotics and substrates in complexes determined by X-ray crystallography: Application of a theoretical databank of aspherical atoms and a symmetry-adapted perturbation theory-based set of interatomic potentials

Acta Crystallographica Section D: Biological Crystallography

Volumn 62, Issue 6, 2006, Pages 639-647

  Li, Xue ^a   Volkov, Anatoliy V ^a   Szalewicz, Krzysztof ^b   Coppens, Philip ^a  

^a UNIVERSITY AT BUFFALO   (United States)

^b UNIVERSITY OF DELAWARE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIINFECTIVE AGENT; BALHIMYCIN; DRUG DERIVATIVE; LIGAND; PEPTIDE; VANCOMYCIN;

ARTICLE; BIOLOGY; CELL WALL; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; ELECTRICITY; EVALUATION; METHODOLOGY; NUCLEAR MAGNETIC RESONANCE; PROTEIN DATABASE; QUANTUM THEORY; X RAY CRYSTALLOGRAPHY;

ANTI-BACTERIAL AGENTS; CELL WALL; COMPUTATIONAL BIOLOGY; CRYSTALLOGRAPHY, X-RAY; DATABASES, PROTEIN; ELECTROSTATICS; LIGANDS; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR STRUCTURE; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; PEPTIDES; QUANTUM THEORY; VANCOMYCIN;

EID: 33744463879     PISSN: 09074449     EISSN: 13990047     Source Type: Journal    
DOI: 10.1016/j.radmeas.2006.01.002     Document Type: Article

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