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Journal of Computational Chemistry|April 2, 2002
Chemical shift driven geometry optimizationRaiker Witter, Wolfram Priess, Ulrich SternbergJournal of Computational Chemistry|January 19, 2010
Carbondioxide rare-gas systems: sensitivity of basis sets and double-hybrid density functionalsPrasenjit SealJournal of Computational Chemistry|January 19, 2010
A new Lamarckian genetic algorithm for flexible ligand-receptor dockingJan Fuhrmann, Alexander Rurainski, Hans-Peter Lenhof, et al.Journal of Computational Chemistry|January 19, 2010
TD-DFT study on the sensing mechanism of a fluorescent chemosensor for fluoride: excited-state proton transferGuang-Yue Li, Guang-Jiu Zhao, Yu-Hui Liu, et al.Journal of Computational Chemistry|January 19, 2010
Canonical Monte Carlo simulation of adsorption of O2 and N2 mixture on single walled carbon nanotube at different temperatures and pressuresAmir Abbas Rafati, Sayed Majid Hashemianzadeh, Zabiollah Bolboli Nojini, et al.Journal of Computational Chemistry|January 19, 2010
Symmetrization of the AMBER and CHARMM force fieldsEdyta Małolepsza, Birgit Strodel, Mey Khalili, et al.Journal of Computational Chemistry|January 21, 2010
Calculation of chemical reaction energies using the AM05 density functionalRichard P Muller, Ann E Mattsson, Curtis L JanssenJournal of Computational Chemistry|January 21, 2010
Flexible protein-protein docking based on Best-First search algorithmEfrat Noy, Amiram GoldblumJournal of Computational Chemistry|January 9, 2010
Polymer dynamics in torsion spaceKrister O E Henriksson, Janne PesonenJournal of Computational Chemistry|December 25, 2009
Force field-dependent structural divergence revealed during long time simulations of Calbindin d9kElad Project, Esther Nachliel, Menachem GutmanPageof 598