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Journal of Computational Chemistry|May 23, 2009
Protein-protein docking dealing with the unknownIrina S Moreira, Pedro A Fernandes, Maria J RamosJournal of Computational Chemistry|May 23, 2009
Model of twelve properties of a set of organic solvents with graph-theoretical and/or experimental parametersLionello PoglianiJournal of Computational Chemistry|June 6, 2009
Trends of the bonding effect on the performance of DFT methods in electric properties calculations: a pattern recognition and metric space approach on some XY2 (X = O, S and Y = H, O, F, S, Cl) moleculesChristos Christodouleas, Demetrios Xenides, Theodore E SimosJournal of Computational Chemistry|June 6, 2009
Theoretical study and rate constants calculation for the reactions of SiH3 radical with SiH3CH3 and SiH2(CH3)2Hui Zhang, Gui-Ling Zhang, Jing-Yao Liu, et al.Journal of Computational Chemistry|June 6, 2009
MOLCAS 7: the next generationFrancesco Aquilante, Luca De Vico, Nicolas Ferré, et al.Journal of Computational Chemistry|June 6, 2009
Relativistic correlating basis sets for 57La and 89AcMasahiro Sekiya, Takeshi Noro, Toshikatsu Koga, et al.Journal of Computational Chemistry|June 6, 2009
AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreadingOleg Trott, Arthur J OlsonJournal of Computational Chemistry|May 30, 2009
Using Gaussian model to improve biological sequence comparisonQi Dai, Xiaoqing Liu, Lihua Li, et al.Journal of Computational Chemistry|June 27, 2009
Fourier transform convolution integrals applied to generalized Born molecular volumeThierry Schüpbach, Vincent Zoete, Brice Tsakam-Sotché, et al.Journal of Computational Chemistry|June 17, 2009
The use of time-averaged 3JHH restrained molecular dynamics (tar-MD) simulations for the conformational analysis of five-membered ring systems: methodology and applicationsPieter M S Hendrickx, Francisco Corzana, Stefaan Depraetere, et al.Pageof 598