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Journal of Computational Chemistry|April 11, 2012
HolT Hunter: software for identifying and characterizing low-strain DNA Holliday TrianglesWilliam B Sherman
Journal of Computational Chemistry|April 11, 2012
Insulator-metal transition driven by pressure and B-site disorder in double perovskite La2CoMnO6Shuhui Lv, Xiaojuan Liu, Hongping Li, et al.
Journal of Computational Chemistry|April 24, 2012
Efficient treatment of solvation shells in 3D molecular theory of solvationSergey Gusarov, Bhalchandra S Pujari, Andriy Kovalenko
Journal of Computational Chemistry|April 24, 2012
Interaction between alkyl radicals and single wall carbon nanotubesPablo A Denis
Journal of Computational Chemistry|April 24, 2012
Placevent: an algorithm for prediction of explicit solvent atom distribution-application to HIV-1 protease and F-ATP synthaseDaniel J Sindhikara, Norio Yoshida, Fumio Hirata
Journal of Computational Chemistry|September 25, 2014
Impact of Mn on the solution enthalpy of hydrogen in austenitic Fe-Mn alloys: a first-principles studyJörg von Appen, Richard Dronskowski, Aurab Chakrabarty, et al.
Journal of Computational Chemistry|September 9, 2014
Extension and validation of the GROMOS 53A6(GLYC) parameter set for glycoproteinsLaercio Pol-Fachin, Hugo Verli, Roberto D Lins
Journal of Computational Chemistry|October 21, 2014
Scents and sense: in silico perspectives on olfactory receptorsCharleen G Don, Sereina Riniker
Journal of Computational Chemistry|October 21, 2014
From orientation disordered to ordered--an ab initio simulation on ammonia borane phase transition within van der Waals correctionsQi Song, Zhenyi Jiang, Zhiyong Zhang, et al.
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