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Journal of Molecular Modeling|January 28, 2012
Characterization of nitrogen-bridged 1,2,4,5-tetrazine-, furazan-, and 1H-tetrazole-based polyheterocyclic compounds: heats of formation, thermal stability, and detonation propertiesTao Wei, Jianzhang Wu, Weihua Zhu, et al.Journal of Molecular Modeling|January 25, 2012
Pharmacophore, QSAR, and ADME based semisynthesis and in vitro evaluation of ursolic acid analogs for anticancer activityKomal Kalani, Dharmendra Kumar Yadav, Feroz Khan, et al.Journal of Molecular Modeling|January 25, 2012
In-silico modeling of a novel OXA-51 from β-lactam-resistant Acinetobacter baumannii and its interaction with various antibioticsVishvanath Tiwari, Isha Nagpal, Naidu Subbarao, et al.Journal of Molecular Modeling|January 18, 2012
Pharmacophore modeling, molecular docking, and molecular dynamics simulation approaches for identifying new lead compounds for inhibiting aldose reductase 2Sugunadevi Sakkiah, Sundarapandian Thangapandian, Keun Woo LeeJournal of Molecular Modeling|January 18, 2012
Quantum-mechanical computations on the electronic structure of trans-resveratrol and trans-piceatannol: a theoretical study of the stacking interactions in trans-resveratrol dimersDamian Mikulski, Marcin MolskiJournal of Molecular Modeling|January 19, 2012
Self-assembly of DNA on a gapped carbon nanotubeAlfredo D Bobadilla, Jorge M SeminarioJournal of Molecular Modeling|January 20, 2012
Large gallanes and the PSEPT theory: a theoretical study of Ga(n)H(n+2) clusters (n = 7-9)Mohamed Maatallah, Driss Cherqaoui, Abdellah Jarid, et al.Journal of Molecular Modeling|January 31, 2012
Characteristics of beryllium bonds; a QTAIM studyK EskandariJournal of Molecular Modeling|November 26, 2011
Dimensionality reduction in computational demarcation of protein tertiary structuresRajani R Joshi, Priyabrata R Panigrahi, Reshma N PatilJournal of Molecular Modeling|November 26, 2011
Effect of the thermostat in the molecular dynamics simulation on the folding of the model protein chignolinCarlos A Fuzo, Léo DegrèvePageof 699