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Journal of Computational Chemistry|May 4, 2007
WinDock: structure-based drug discovery on Windows-based PCsZengjian Hu, William SoutherlandJournal of Computational Chemistry|May 2, 2007
An object-oriented library for computational protein designArnab B Chowdry, Kimberly A Reynolds, Melinda S Hanes, et al.Journal of Computational Chemistry|May 2, 2007
Dead-end elimination for multistate protein designChen Yanover, Menachem Fromer, Julia M ShifmanJournal of Computational Chemistry|May 18, 2007
Highly accurate biomolecular electrostatics in continuum dielectric environmentsY C Zhou, Michael Feig, G W WeiJournal of Computational Chemistry|April 28, 2007
Validation of critical points in the electron density as descriptors by building quantitative structure-property relationships for the atomic polar tensorBård Buttingsrud, Bjørn K Alsberg, Per-Olof AstrandJournal of Computational Chemistry|October 27, 2006
Aromaticity in linear polyacenes: generalized population analysis and molecular quantum similarity approachPatrick Bultinck, Robert Ponec, Ramon Carbó-DorcaJournal of Computational Chemistry|October 26, 2006
QTAIM N-center delocalization indices as descriptors of aromaticity in mono and poly heterocyclesMarcos Mandado, María J González-Moa, Ricardo A MosqueraJournal of Computational Chemistry|October 13, 2006
Diatropicity of tetraazanaphthalenesI García Cuesta, A Sánchez de Merás, P LazzerettiJournal of Computational Chemistry|October 13, 2006
Accurate relativistic adapted Gaussian basis sets for Cesium through Radon without variational prolapse and to be used with both uniform sphere and Gaussian nucleus modelsRoberto L A Haiduke, Albérico B F Da SilvaJournal of Computational Chemistry|October 13, 2006
Can MM-PBSA calculations predict the specificities of protein kinase inhibitors?Christopher S Page, Paul A BatesPageof 598