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Journal of Molecular Modeling|December 17, 2009
Mechanism of CDK5 activation revealed by steered molecular dynamics simulations and energy calculationsBing Zhang, Zhou Cheng Su, Tong Earn Tay, et al.Journal of Molecular Modeling|November 12, 2005
Synthesis, DFT calculations, linear and nonlinear optical properties of binuclear phthalocyanine gallium chlorideMario J F Calvete, Danilo Dini, Michael Hanack, et al.Journal of Molecular Modeling|December 13, 2005
Molecular docking study on the "back door" hypothesis for product clearance in acetylcholinesteraseLaleh Alisaraie, Gregor FelsJournal of Molecular Modeling|December 8, 2005
QSPR analysis for infinite dilution activity coefficients of organic compoundsKaido Tämm, Peeter BurkJournal of Molecular Modeling|October 26, 2005
Molecular dynamics simulations of bovine rhodopsin: influence of protonation states and different membrane-mimicking environmentsBirgit Schlegel, Wolfgang Sippl, Hans-Dieter HöltjeJournal of Molecular Modeling|November 2, 2005
Periodic trends and easy estimation of relative stabilities in 11-vertex nido-p-block-heteroboranes and -boratesFarooq A Kiani, Matthias HofmannJournal of Molecular Modeling|October 21, 2005
Hierarchic system of QSAR models (1D-4D) on the base of simplex representation of molecular structureVictor E Kuz'min, Anatoly G Artemenko, Pavel G Polischuk, et al.Journal of Molecular Modeling|October 22, 2005
The structure and stability of B36N36 cages: a computational studyHai-Shun Wu, Xiao-Hong Xu, Douglas L Strout, et al.Journal of Molecular Modeling|October 22, 2005
AMBER force-field parameters for phosphorylated amino acids in different protonation states: phosphoserine, phosphothreonine, phosphotyrosine, and phosphohistidineNadine Homeyer, Anselm H C Horn, Harald Lanig, et al.Journal of Molecular Modeling|October 22, 2005
Three-dimensional structure of the catalytic domain of the yeast beta-(1,3)-glucan transferase Gas1: a molecular modeling investigationElena Papaleo, Piercarlo Fantucci, Marina Vai, et al.Pageof 697