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Journal of the American Chemical Society|July 18, 2002
The elusive atomic rationale for DNA base pair stabilityPaul L A Popelier, Laurent JoubertCarbohydrate Research|November 9, 2011
Computational study of mutarotation in erythrose and threoseIbon Alkorta, Paul L A PopelierBioorganic & Medicinal Chemistry Letters|April 2, 2008
Exploring predictive QSAR models for hepatocyte toxicity of phenols using QTMS descriptorsKunal Roy, Paul L A PopelierThe Journal of Physical Chemistry. B|April 1, 2008
Computational study of substituent effects on the interaction energies of hydrogen-bonded Watson-Crick cytosine: guanine base pairsChunxia Xue, Paul L A PopelierJournal of Molecular Modeling|June 25, 2014
Spherical tensor multipolar electrostatics and smooth particle mesh Ewald summation: a theoretical studyFrançois Zielinski, Paul L A PopelierJournal of Chemical Information and Modeling|July 10, 2023
How to Compute Atomistic Insight in DFT Clusters: The REG-IQA ApproachFabio Falcioni, Paul L A PopelierChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|November 11, 2014
Linear free-energy relationships between a single gas-phase ab initio equilibrium bond length and experimental pKa values in aqueous solutionIbon Alkorta, Paul L A PopelierJournal of Computational Chemistry|November 9, 2015
Prediction of conformationally dependent atomic multipole moments in carbohydratesSalvatore Cardamone, Paul L A PopelierJournal of Computational Chemistry|January 18, 2007
Long range behavior of high-rank topological multipole momentsMichel Rafat, Paul L A PopelierCurrent Topics in Medicinal Chemistry|March 27, 2010
In silico techniques for the identification of bioisosteric replacements for drug designMike Devereux, Paul L A PopelierPageof 15