Beyond CHELP: Improved potential derived charges for sugars

Glycoconjugate Journal

Volumn 14, Issue 4, 1997, Pages 501-505

  Carey, Christina ^a   Chirlian, Lisa Emily ^a   Francl, Michelle Miller ^a   Gange, David M ^b  

^a BRYN MAWR COLLEGE   (United States)

^b PFIZER INC   (United States)

Author keywords

Ab initio MO theory; Atomic charges; CHELP; CHELPG; ESP charges; Molecular electrostatic potential; Potential derived charges

Indexed keywords

SUGAR;

ALGORITHM; ARTICLE; CALCULATION; CARBOHYDRATE ANALYSIS; ELECTRIC POTENTIAL; MOLECULAR SIZE; PRIORITY JOURNAL; PROBABILITY; REGRESSION ANALYSIS; SURFACE PROPERTY; TECHNIQUE;

CARBOHYDRATE CONFORMATION; FRUCTOSE; GLUCOSE; METHODS; SUCROSE;

EID: 0030756946     PISSN: 02820080     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1018511804498     Document Type: Article

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