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Journal of Chemical Theory and Computation|November 18, 2015
Multiconfigurational Second-Order Perturbation Theory with Frozen Natural Orbitals Extended to the Treatment of Photochemical ProblemsJavier Segarra-Martí, Marco Garavelli, Francesco AquilanteJournal of Chemical Theory and Computation|November 18, 2015
Comprehensive Benchmark of Association (Free) Energies of Realistic Host-Guest ComplexesRebecca Sure, Stefan GrimmeJournal of Chemical Theory and Computation|November 18, 2015
Thermodynamic and Transport Properties of H2O + NaCl from Polarizable Force FieldsHao Jiang, Zoltan Mester, Othonas A Moultos, et al.Journal of Chemical Theory and Computation|November 18, 2015
Role of the Molecular Environment in Flavoprotein Color and Redox Tuning: QM Cluster versus QM/MM ModelingAnikó Udvarhelyi, Massimo Olivucci, Tatiana DomratchevaJournal of Chemical Theory and Computation|November 18, 2015
Monte Carlo Sampling with Linear Inverse Kinematics for Simulation of Protein Flexible RegionsSteven Hayward, Akio KitaoJournal of Chemical Theory and Computation|November 18, 2015
Exploring Multiple Binding Modes Using Confined Replica Exchange Molecular DynamicsMassimiliano Anselmi, M Teresa PisabarroJournal of Chemical Theory and Computation|November 18, 2015
Martini Coarse-Grained Force Field: Extension to DNAJaakko J Uusitalo, Helgi I Ingólfsson, Parisa Akhshi, et al.Journal of Chemical Theory and Computation|November 18, 2015
Quantifying the Binding Interaction between the Hypoxia-Inducible Transcription Factor and the von Hippel-Lindau SuppressorCarmen Domene, Christian Jorgensen, Kenno Vanommeslaeghe, et al.Journal of Chemical Theory and Computation|November 18, 2015
Accurate description of intermolecular interactions involving ions using symmetry-adapted perturbation theoryKa Un Lao, Rainer Schäffer, Georg Jansen, et al.Journal of Chemical Theory and Computation|November 18, 2015
Can density cumulant functional theory describe static correlation effects?J Wayne Mullinax, Alexander Yu Sokolov, Henry F SchaeferPageof 1,139