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Journal of Molecular Modeling|November 10, 2010
A tool for the morphological analysis of mixtures of lipids and water in computer simulationsMarc Fuhrmans, Siewert-Jan MarrinkJournal of Molecular Modeling|January 27, 2011
Crystal and electronic structures and high-pressure behavior of AgSO4, a unique narrow band gap antiferromagnetic semiconductor: LDA(+U) pictureMariana Derzsi, Juliusz Stasiewicz, Wojciech GrochalaJournal of Molecular Modeling|January 26, 2011
Computational analysis of aspartic protease plasmepsin II complexed with EH58 inhibitor: a QM/MM MD studyNatália de Farias Silva, Jerônimo Lameira, Cláudio Nahum AlvesJournal of Molecular Modeling|February 12, 2011
Effect of atom- and group-based truncations on biomolecules simulated with reaction-field electrostaticsBoris Ni, Andrij BaumketnerJournal of Molecular Modeling|February 3, 2011
Graphene-based pressure nano-sensorsViacheslav Sorkin, Yong Wei ZhangJournal of Molecular Modeling|February 3, 2011
Molecular dynamics simulations and binding free energy analysis of DNA minor groove complexes of curcuminMathew Varghese Koonammackal, Unnikrishnan Viswambharan Nair Nellipparambil, Chellappanpillai SudarsanakumarJournal of Molecular Modeling|January 25, 2011
RNA and protein 3D structure modeling: similarities and differencesKristian Rother, Magdalena Rother, Michał Boniecki, et al.Journal of Molecular Modeling|December 22, 2010
FTIR, Raman, and UV-Vis spectroscopic and DFT investigations of the structure of iron-lead-tellurate glassesSimona Rada, Adriana Dehelean, Eugen CuleaJournal of Molecular Modeling|December 22, 2010
Development of a QSPR model for predicting thermal stabilities of nitroaromatic compounds taking into account their decomposition mechanismsGuillaume Fayet, Patricia Rotureau, Laurent Joubert, et al.Journal of Molecular Modeling|December 4, 2010
Exploring a coarse-grained distributive strategy for finite-difference Poisson-Boltzmann calculationsMeng-Juei Hsieh, Ray LuoPageof 696