Quantum chemical calculations on structural models of the catalytic site of chymotrypsin: Comparison of calculated results with experimental data from NMR spectroscopy

Journal of the American Chemical Society

Volumn 124, Issue 48, 2002, Pages 14373-14381

  Westler, William M ^a   Weinhold, Frank ^a   Markley, John L ^a  

^a UNIVERSITY OF WISCONSIN MADISON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGEN BONDS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROBABILITY DISTRIBUTIONS; QUANTUM THEORY;

CHEMICAL SHIFTS;

CATALYSIS;

ASPARAGINE; CHYMOTRYPSIN; DEUTERIUM; HISTIDINE; NITROGEN; OXYGEN; TYLOXAPOL;

ARTICLE; CALCULATION; CALIBRATION; CATALYSIS; CHEMICAL STRUCTURE; ENERGY; FRACTIONATION; HYDROGEN BOND; HYPOTHESIS; MOLECULAR MODEL; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTON NUCLEAR MAGNETIC RESONANCE; QUANTUM CHEMISTRY; STRUCTURE ANALYSIS; X RAY ANALYSIS;

EID: 2242447088     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja027735j     Document Type: Article

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