Showing results (801-810 of 5,929) with videos related to
Sort By:
Pageof 593
Journal of Computational Chemistry|October 15, 2013
Accurate density functional theory description of binding constants and NMR chemical shifts of weakly interacting complexes of C60 with corannulene-based molecular bowlsIvan Welsh, Matthias LeinJournal of Computational Chemistry|October 15, 2013
Elucidating protein secondary structure with circular dichroism and a neural networkVincent Hall, Anthony Nash, Evor Hines, et al.Journal of Computational Chemistry|December 17, 2013
Halogen bonds with benzene: an assessment of DFT functionalsAlessandra Forni, Stefano Pieraccini, Stefano Rendine, et al.Journal of Computational Chemistry|April 9, 2009
Complex molecular assemblies at hand via interactive simulationsOlivier Delalande, Nicolas Férey, Gilles Grasseau, et al.Journal of Computational Chemistry|September 13, 2007
GLYCAM06: a generalizable biomolecular force field. CarbohydratesKarl N Kirschner, Austin B Yongye, Sarah M Tschampel, et al.Journal of Computational Chemistry|September 13, 2007
cclib: a library for package-independent computational chemistry algorithmsNoel M O'Boyle, Adam L Tenderholt, Karol M LangnerJournal of Computational Chemistry|June 6, 2009
Ion-exchanged binuclear Ca2OX clusters, X = 1-4, as active sites of selective oxidation over MOR and FAU zeolitesA V Larin, G M Zhidomirov, D N Trubnikov, et al.Journal of Computational Chemistry|May 8, 2009
Free energy profiles of amino acid side chain analogs near water-vapor interface obtained via MD simulationsAlexey K Shaytan, Victor A Ivanov, Konstantin V Shaitan, et al.Journal of Computational Chemistry|May 8, 2009
Drug efficiency indices for improvement of molecular docking scoring functionsAlfonso T García-Sosa, Csaba Hetényi, Uko MaranJournal of Computational Chemistry|May 5, 2009
A combined molecular modeling study on gelatinases and their potent inhibitorsLili Xi, Juan Du, Shuyan Li, et al.Pageof 593