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Journal of Computational Chemistry|June 30, 2007
Variation of spectral, structural, and vibrational properties within the intrinsically fluorescent proteins family: a density functional studyRiccardo Nifosí, Pietro Amat, Valentina TozziniJournal of Computational Chemistry|January 24, 2009
A kernel-based method to determine optimal sampling times for the simultaneous estimation of the parameters of rival mathematical modelsBrecht M R Donckels, Dirk J W De Pauw, Peter A Vanrolleghem, et al.Journal of Computational Chemistry|January 24, 2009
N(2)O in small para-hydrogen clusters: Structures and energeticsHua Zhu, Daiqian XieJournal of Computational Chemistry|January 27, 2009
SHARPEN-systematic hierarchical algorithms for rotamers and proteins on an extended networkIlya V Loksha, James R Maiolo, Cheng W Hong, et al.Journal of Computational Chemistry|April 9, 2009
Molecular dynamics simulations of the detoxification of paraoxon catalyzed by phosphotriesteraseXin Zhang, Ruibo Wu, Lingchun Song, et al.Journal of Computational Chemistry|April 11, 2009
Prediction of octanol-water partition coefficients of organic compounds by multiple linear regression, partial least squares, and artificial neural networkHassan GolmohammadiJournal of Computational Chemistry|April 11, 2009
Cluster expansion models for flexible-backbone protein energeticsJames R Apgar, Seungsoo Hahn, Gevorg Grigoryan, et al.Journal of Computational Chemistry|April 18, 2009
Linear response theory in dihedral angle space for protein structural change upon ligand bindingSatoshi Omori, Sotaro Fuchigami, Mitsunori Ikeguchi, et al.Journal of Computational Chemistry|April 18, 2009
MILCH SHAKE: an efficient method for constraint dynamics applied to alkanesA G Bailey, C P LoweJournal of Computational Chemistry|April 18, 2009
Unorthodox uses of Bennett's acceptance ratio methodGerhard König, Stefan Bruckner, Stefan BoreschPageof 598