An improved generalized AMBER force field (GAFF) for urea

Journal of Molecular Modeling

Volumn 16, Issue 9, 2010, Pages 1427-1440

  ÖzpInar, Gül Altinbaş ^a,b   Peukert, Wolfgang ^a,c   Clark, Timothy ^a  

^a UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

^b MARMARA UNIVERSITY   (Turkey)

^c Lehrstuhl fur Feststoff und Grenzflachenverfahrenstechnik   (Germany)

Author keywords

Force field parameters; GAFF; Urea; Urea crystal; Urea dimers

Indexed keywords

MONOMER; UREA;

ARTICLE; COMPUTER PROGRAM; CRYSTAL STRUCTURE; DIMERIZATION; ENERGY TRANSFER; GENERAL AMBER FORCE FIELD; MOLECULAR DYNAMICS; OLIGOMERIZATION; PRIORITY JOURNAL;

CRYSTALLOGRAPHY, X-RAY; DIMERIZATION; MODELS, CHEMICAL; MODELS, MOLECULAR; SURFACE PROPERTIES; THERMODYNAMICS; UREA;

EID: 77955317383     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-010-0650-7     Document Type: Article

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