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Journal of Computational Chemistry|January 9, 2008
Ab initio determination of the flexibility of 2'-aminoribonucleosides and 2'-aminoarabinonucleosides inserted in duplexesSophie Barbe, Marc Le BretJournal of Computational Chemistry|January 19, 2006
A new method to determine electrostatic potential around a macromolecule in solution from molecular wave functionsNorio Yoshida, Fumio HirataJournal of Computational Chemistry|December 12, 2007
Computational protein design: software implementation, parameter optimization, and performance of a simple modelMarcel Schmidt Am Busch, Anne Lopes, David Mignon, et al.Journal of Computational Chemistry|December 12, 2007
An intramolecular induction correction model of the molecular dipole momentAsbjørn Holt, Gunnar KarlströmJournal of Computational Chemistry|December 12, 2007
DFT conformational studies of alpha-maltotrioseUdo Schnupf, Julious L Willett, Wayne B Bosma, et al.Journal of Computational Chemistry|November 19, 2016
Direct determination of discrete harmonic bath parameters from molecular dynamics simulationsPeter L Walters, Thomas C Allen, Nancy MakriJournal of Computational Chemistry|November 19, 2016
Improving scoring-docking-screening powers of protein-ligand scoring functions using random forestCheng Wang, Yingkai ZhangJournal of Computational Chemistry|November 1, 2016
Visualizing dispersion interactions through the use of local orbital spacesAxel Wuttke, Ricardo A MataJournal of Computational Chemistry|September 25, 2004
Fast topological analysis of 2D and 3D grids of data: application to the atoms in molecule (AIM) and the electron localization function (ELF)Philippe Soler, Franck Fuster, Hilaire ChevreauJournal of Computational Chemistry|September 14, 2004
The effect of basis set superposition error on the convergence of intermolecular interaction energies for deprotonated complexesMasao MasamuraPageof 598