A comparison and chemometric analysis of several molecular mechanics force fields and parameter sets applied to carbohydrates

Carbohydrate Research

Volumn 314, Issue 3-4, 1998, Pages 141-155

  Pérez, Serge ^a   Imberty, Anne ^a   Engelsen, Soren B ^b   Gruza, Jan ^a   Mazeau, Karim ^a   Jimenez Barbero, Jesus ^c   Poveda, Ana ^d   Espinosa, Juan Felix ^c   Van Eyck, Bouke P ^e   Johnson, Glenn ^f   French, Alfred D ^f   Kouwijzer, Marie Louise C E ^g   Grootenuis, Peter D J ^g   Bernardi, Anna ^h   Raimondi, Laura ^h   Senderowitz, Hanoch ⁱ   Durier, Viviane ^j   Vergoten, Gérard ^j   Rasmussen, Kjeld ^k  

^a UNIV GRENOBLE ALPES   (France)

^b UNIVERSITY OF COPENHAGEN   (Denmark)

^c INSTITUTO DE QUÍMICA ORGÁNICA GENERAL   (Spain)

^d UNIVERSIDAD AUTÓNOMA DE MADRID   (Spain)

^e UTRECHT UNIVERSITY   (Netherlands)

^f SOUTHERN REGIONAL RESEARCH CENTER   (United States)

^g UNIVERSITY OF GRONINGEN   (Netherlands)

^h UNIVERSITY OF MILAN   (Italy)

ⁱ Columbia University ^*  (United States)

^j UNIV LILLE   (France)

^k TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

more..

Author keywords

Carbohydrate; Force field; Molecular mechanics; PCA

Indexed keywords

CARBOHYDRATE;

ARTICLE; CARBOHYDRATE ANALYSIS; CHEMOMETRIC ANALYSIS; COMPARATIVE STUDY; CONTROLLED STUDY; MECHANICS; METHODOLOGY; MOLECULAR MODEL; NONHUMAN; PRINCIPAL COMPONENT ANALYSIS; PRIORITY JOURNAL; STEREOLOGY;

EID: 0032439584     PISSN: 00086215     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0008-6215(98)00305-X     Document Type: Article

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