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Journal of Computational Chemistry|January 24, 2008
A reactive bond orbital investigation of the Diels-Alder reaction between 1,3-butadiene and ethylene: Energy decomposition, state correlation diagram, and electron density analysesHajime HiraoJournal of Computational Chemistry|February 23, 2008
Theoretical study on the structure and formation mechanism of [C6H5Mm]- (M=Ag, Au; m=1-3)Xiao-Jing Liu, Chuan-Lu Yang, Xiang Zhang, et al.Journal of Computational Chemistry|February 23, 2008
A novel strategy to determine protein structures using exclusively residual dipolar couplingThenmalarchelvi Rathinavelan, Wonpil ImJournal of Computational Chemistry|February 23, 2008
Analysis of similarity/dissimilarity of DNA sequences based on a class of 2D graphical representationYu-Hua Yao, Qi Dai, Xu-Ying Nan, et al.Journal of Computational Chemistry|February 23, 2008
Q-Dock: Low-resolution flexible ligand docking with pocket-specific threading restraintsMichal Brylinski, Jeffrey SkolnickJournal of Computational Chemistry|February 23, 2008
Advancing beyond charge analysis using the electronic localization function: Chemically intuitive distribution of electrostatic momentsJulien Pilmé, Jean-Philip PiquemalJournal of Computational Chemistry|April 3, 2008
Using grey dynamic modeling and pseudo amino acid composition to predict protein structural classesXuan Xiao, Wei-Zhong Lin, Kuo-Chen ChouJournal of Computational Chemistry|March 21, 2008
CHARMM-GUI: a web-based graphical user interface for CHARMMSunhwan Jo, Taehoon Kim, Vidyashankara G Iyer, et al.Journal of Computational Chemistry|March 21, 2008
Density functional study on the reaction mechanism of palladium-catalyzed addition of cyanoboranes to alkynesM Y Wang, L Cheng, Z J WuJournal of Computational Chemistry|March 21, 2008
Reference energy extremal optimization: a stochastic search algorithm applied to computational protein designNaigong Zhang, Chen ZengPageof 598