Showing results (1931-1940 of 5,935) with videos related to
Sort By:
Pageof 594
Journal of Computational Chemistry|March 23, 2011
PaDEL-descriptor: an open source software to calculate molecular descriptors and fingerprintsChun Wei YapJournal of Computational Chemistry|March 23, 2011
IBIsCO: a molecular dynamics simulation package for coarse-grained simulationHossein Ali Karimi-Varzaneh, Hu-Jun Qian, Xiaoyu Chen, et al.Journal of Computational Chemistry|March 5, 2011
A challenging system: free energy prediction for factor XaHannes G Wallnoefer, Klaus R Liedl, Thomas FoxJournal of Computational Chemistry|April 7, 2011
Accurate quantum-chemical description of gold complexes with pyridine and its derivativesDoreen Mollenhauer, Johannes Floss, Hans-Ulrich Reissig, et al.Journal of Computational Chemistry|April 7, 2011
Physical origins of the stability of aromatic amino acid core ring-polycyclic hydrocarbon complexes: a post-Hartree-Fock and density functional studyŻaneta Czyżnikowska, Wojciech BartkowiakJournal of Computational Chemistry|April 5, 2011
The effect of iron and copper impurities on the wettability of sphalerite (110) surfaceDarren J Simpson, Thomas Bredow, Anand P Chandra, et al.Journal of Computational Chemistry|April 2, 2011
A new hybrid algorithm for finding the lowest minima of potential surfaces: approach and application to peptidesMoshe Goldstein, Erick Fredj, R Benny GerberJournal of Computational Chemistry|April 2, 2011
SSC: a tool for constructing libraries for systematic screening of conformersSanliang Ling, Maciej GutowskiJournal of Computational Chemistry|April 2, 2011
Web services as applications' integration tool: QikProp case studyAbdel Laoui, Valery R PolyakovJournal of Computational Chemistry|April 22, 2011
Ensemble QSAR: a QSAR method based on conformational ensembles and metric descriptorsRaghuvir R S Pissurlenkar, Vijay M Khedkar, Radhakrishnan P Iyer, et al.Pageof 594