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Journal of Molecular Modeling|October 24, 2007
G2, G3, and complete basis set calculations of the thermodynamic properties of cis- and trans-triazeneRyan M Richard, David W BallJournal of Molecular Modeling|January 12, 2007
Quantum chemical study of the mechanism of ethylene elimination in silylative coupling of olefinsMarcin Hoffmann, Bogdan MarciniecJournal of Molecular Modeling|January 12, 2007
QSAR models for predicting the activity of non-peptide luteinizing hormone-releasing hormone (LHRH) antagonists derived from erythromycin A using quantum chemical propertiesMichael Fernández, Julio CaballeroJournal of Molecular Modeling|March 3, 2007
Adsorption and phase transitions in adsorbed systems: structural properties of CCl4 layers adsorbed on a graphite surfaceMarcin Marzec, Bogdan Kuchta, Lucyna FirlejJournal of Molecular Modeling|March 28, 2007
Oxidation mechanism in the metabolism of (S)-N-[1-(3-morpholin-4-ylphenyl)ethyl]-3-phenylacrylamide on oxyferryl active site in CYP3A4 Cytochrome: DFT modelingAbdul Rajjak Shaikh, Ewa Broclawik, Hideyuki Tsuboi, et al.Journal of Molecular Modeling|March 29, 2007
3D-QSAR study of microsomal prostaglandin E2 synthase (mPGES-1) inhibitorsAmor A San Juan, Seung Joo ChoJournal of Molecular Modeling|November 30, 2006
Ab initio and DFT investigation of electrophilic addition reaction of bromine to endo,endo-tetracyclo[4.2.1.1(3,6).0 (2,7)]dodeca-4,9-dieneRza AbbasogluJournal of Molecular Modeling|December 11, 2008
Application of the PM6 method to modeling proteinsJames J P StewartJournal of Molecular Modeling|December 11, 2008
In-silico screening of new potential Bcl-2/Bcl-xl inhibitors as apoptosis modulatorsAnna Maria Almerico, Marco Tutone, Antonino LauriaJournal of Molecular Modeling|December 11, 2008
EGF domain II of protein Pb28 from Plasmodium berghei interacts with monoclonal transmission blocking antibody 13.1Babita Sharma, Manoj Kumar Jaiswal, Ajay K SaxenaPageof 699