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Journal of Computational Chemistry|January 25, 2013
Advanced techniques for constrained internal coordinate molecular dynamicsJeffrey R Wagner, Gouthaman S Balaraman, Michiel J M Niesen, et al.Journal of Computational Chemistry|January 25, 2013
Adjustment of Born-Oppenheimer electronic wave functions to simplify close coupling calculationsRobert J Buenker, Heinz-Peter Liebermann, Yu Zhang, et al.Journal of Computational Chemistry|January 25, 2013
QMX: a versatile environment for hybrid calculations applied to the grafting of Al2Cl3Me3 on a silica surfaceTorsten Kerber, Rachel Nathaniel Kerber, Xavier Rozanska, et al.Journal of Computational Chemistry|April 11, 2012
The statistical significance of selected sense-antisense peptide interactionsChristopher J R Illingworth, Sree V Chintipalli, Stefano A Serapian, et al.Journal of Computational Chemistry|January 5, 2013
TargetATPsite: a template-free method for ATP-binding sites prediction with residue evolution image sparse representation and classifier ensembleDong-Jun Yu, Jun Hu, Yan Huang, et al.Journal of Computational Chemistry|January 5, 2013
After the electronic field: structure, bonding, and the first hyperpolarizability of HArFHeng-Qing Wu, Rong-Lin Zhong, Yu-He Kan, et al.Journal of Computational Chemistry|December 6, 2012
Parameterization of a geometric flow implicit solvation modelDennis G Thomas, Jaehun Chun, Zhan Chen, et al.Journal of Computational Chemistry|December 6, 2012
An analytical approach for computing Franck-Condon integrals of harmonic oscillators with arbitrary dimensionsJia-Lin Chang, Cyong-Huei Huang, Sue-Chang Chen, et al.Journal of Computational Chemistry|December 11, 2012
Efficient implementation of restricted active space configuration interaction with the hole and particle approximationDavid CasanovaJournal of Computational Chemistry|December 11, 2012
Membrane protein native state discrimination by implicit membrane modelsOlga Yuzlenko, Themis LazaridisPageof 598