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Journal of Molecular Modeling|February 12, 2009
Chemical function-based pharmacophore generation of selective kappa-opioid receptor agonists by catalyst and phaseJing Zhang, Guixia Liu, Yun TangJournal of Molecular Modeling|April 1, 2009
Insights into the high fidelity of a DNA polymerase I mutantThomas E ExnerJournal of Molecular Modeling|February 18, 2009
Theoretical study of the geometrical and electronic structures and thermochemistry of spherophanesAmar Saal, Claude August Daul, Thibaut Jarrosson, et al.Journal of Molecular Modeling|December 6, 2013
Changes in ligating abilities of the singlet and triplet states of normal, abnormal and remote N-heterocyclic carbenes depending on their aromaticitiesResul Sevinçek, Hande Karabıyık, Hasan KarabıyıkJournal of Molecular Modeling|November 26, 2013
(Super)alkali atoms interacting with the σ electron cloud: a novel interaction mode triggers large nonlinear optical response of M@P₄ and M@C₃H₆ (M=Li, Na, K and Li₃O)Xingang Zhao, Guangtao Yu, Xuri Huang, et al.Journal of Molecular Modeling|April 27, 2010
3D QSAR pharmacophore model based on diverse IKKβ inhibitorsShanthi Nagarajan, Asif Ahmed, Hyunah Choo, et al.Journal of Molecular Modeling|April 23, 2010
Average local ionization energy: A reviewPeter Politzer, Jane S Murray, Felipe A BulatJournal of Molecular Modeling|April 23, 2010
Optimal molecular structures of prion AGAAAAGA amyloid fibrils formatted by simulated annealingJiapu ZhangJournal of Molecular Modeling|April 10, 2010
Computational characterization of how the VX nerve agent binds human serum paraoxonase 1Steven Z Fairchild, Matthew W Peterson, Adel Hamza, et al.Journal of Molecular Modeling|May 1, 2010
Three applications of path integrals: equilibrium and kinetic isotope effects, and the temperature dependence of the rate constant of the [1,5] sigmatropic hydrogen shift in (Z)-1,3-pentadieneTomáš Zimmermann, Jiří VaníčekPageof 699