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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.Journal of Computational Chemistry|May 5, 2011
π-π interaction of quinacridone derivativesZhaowei Huang, Hui Sun, Houyu Zhang, et al.Journal of Computational Chemistry|May 5, 2011
Methylation of zebularine investigated using density functional theory calculationsLalitha Selvam, Fang Fang Chen, Feng WangPageof 598