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Journal of Computational Chemistry|May 15, 2008
Transition metal dimers as potential molecular magnets: A challenge to computational chemistryDaniel Fritsch, Klaus Koepernik, Manuel Richter, et al.Journal of Computational Chemistry|May 20, 2008
Analytical methods for calculating Continuous Symmetry Measures and the Chirality MeasureMark Pinsky, Chaim Dryzun, David Casanova, et al.Journal of Computational Chemistry|May 20, 2008
Polarizable continuum model with the fragment molecular orbital-based time-dependent density functional theoryMahito Chiba, Dmitri G Fedorov, Kazuo KitauraJournal of Computational Chemistry|May 20, 2008
The structure and chemical bonding in the N(2)-CuX and N(2)...XCu (X = F, Cl, Br) systems studied by means of the molecular orbital and Quantum Chemical Topology methodsKarolina Kisowska, Slawomir Berski, Zdzislaw LatajkaJournal of Computational Chemistry|May 20, 2008
QSAR study of malonyl-CoA decarboxylase inhibitors using GA-MLR and a new strategy of consensus modelingJiazhong Li, Beilei Lei, Huanxiang Liu, et al.Journal of Computational Chemistry|April 25, 2008
Inclusion of the quadrupole moment when describing polarization. The effect of the dipole-quadrupole polarizabilityAsbjørn Holt, Gunnar KarlströmJournal of Computational Chemistry|May 23, 2008
HIV-1 protease cleavage site prediction based on amino acid propertyBing Niu, Lin Lu, Liang Liu, et al.Journal of Computational Chemistry|May 23, 2008
Pareto optimization in computational protein design with multiple objectivesMaría Suárez, Pablo Tortosa, Javier Carrera, et al.Journal of Computational Chemistry|May 23, 2008
Molecular modeling of A1 and A2A adenosine receptors: comparison of rhodopsin- and beta2-adrenergic-based homology models through the docking studiesOlga Yuzlenko, Katarzyna Kieć-KononowiczJournal of Computational Chemistry|May 13, 2008
Bond-based 3D-chiral linear indices: theory and QSAR applications to central chirality codificationJuan A Castillo-Garit, Yovani Marrero-Ponce, Francisco Torrens, et al.Pageof 598