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Journal of Computational Chemistry|November 8, 2007
A flexible implementation of frozen-density embedding for use in multilevel simulationsChristoph R Jacob, Johannes Neugebauer, Lucas VisscherJournal of Computational Chemistry|November 15, 2007
Comment on "aromatic-backbone interactions in model alpha-helical peptides" [Palermo et al., J Comput Chem 2007, 28, 1208]Tanja Van MourikJournal of Computational Chemistry|September 26, 2008
Molecular dynamics with restrictions derived from optical spectraJakub Kaminský, Jirí Sebek, Petr BourJournal of Computational Chemistry|September 26, 2008
Conformational transitions of cyclic D,L-peptidesHajime Okamoto, Tetsuo Yamada, Shuichiro Kihara, et al.Journal of Computational Chemistry|August 5, 2008
Accuracy and convergence of free energy differences calculated from nonequilibrium switching processesMaik Goette, Helmut GrubmüllerJournal of Computational Chemistry|August 6, 2008
The mechanism of double proton transfer in dimers of uracil and 2-thiouracil--the reaction force perspectiveAl Mokhtar Lamsabhi, Otilia Mó, Soledad Gutiérrez-Oliva, et al.Journal of Computational Chemistry|September 6, 2007
Numerical characterization of the conformation of cyclic peptides and its applicationXiaoqing Liu, Zhilong Xiu, Xiaohui LiJournal of Computational Chemistry|September 27, 2007
Theoretical dynamic studies on the reactions of CH3C(O)CH3-nCl(n) (n = 0-3) with the chlorine atomYue-Meng Ji, Xiao-Lei Zhao, Jing-Yao Liu, et al.Journal of Computational Chemistry|June 21, 2008
Relation between chemical bonding and exchange coupling approaches to the description of ordering in itinerant magnetsGerman D Samolyuk, Gordon J MillerJournal of Computational Chemistry|June 21, 2008
Force fields including charge transfer and local polarization effects: Application to proteins containing multi/heavy metal ionsDmitri V Sakharov, Carmay LimPageof 598