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Journal of Molecular Modeling|October 7, 2006
Pt-bridges in various single-strand and double-helix DNA sequences. DFT and MP2 study of the cisplatin coordination with guanine, adenine, and cytosineMatej Pavelka, Jaroslav V BurdaJournal of Molecular Modeling|October 7, 2006
Natural orbitals for chemical valence as descriptors of chemical bonding in transition metal complexesMariusz Mitoraj, Artur MichalakJournal of Molecular Modeling|March 4, 2005
Prototropic tautomerism of imidazolone in aqueous solution: a density functional approach using the combined discrete/self-consistent reaction field (SCRF) modelsYi Ren, Ming Li, Ning-Bew WongJournal of Molecular Modeling|March 11, 2005
Molecular models of protein targets from Mycobacterium tuberculosisNelson José Freitas da Silveira, Hugo Brandão Uchôa, José Henrique Pereira, et al.Journal of Molecular Modeling|July 12, 2005
Properties of star-branched and linear chains in confined space. A Monte-Carlo studyPiotr Romiszowski, Andrzej SikorskiJournal of Molecular Modeling|July 12, 2005
Hydrogen-bond effects on the electronic absorption spectrum and evaluation of nonlinear optical properties of an aminobenzodifuranone derivative that exhibits the largest positive solvatochromismWojciech Bartkowiak, Paweł LipkowskiJournal of Molecular Modeling|August 9, 2005
A global resource for computational chemistryPeter Murray-Rust, Henry S Rzepa, James J P Stewart, et al.Journal of Molecular Modeling|March 5, 2004
Quantitative structure-activity relationships of alpha1 adrenergic antagonistsSlavica Eric, Tomaz Solmajer, Jure Zupan, et al.Journal of Molecular Modeling|February 1, 2005
QSPR modeling of the water solubility of diverse functional aliphatic compounds by optimization of correlation weights of local graph invariantsKunal Roy, Andrey A ToropovJournal of Molecular Modeling|January 15, 2004
A computational approach to the synthesis of dirithromycinDilek Duran, Viktorya Aviyente, Canan BaysalPageof 699