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Journal of Chemical Theory and Computation|September 24, 2019
Photoabsorption Spectra of Aqueous Oxyluciferin Anions Elucidated by Explicit Quantum SolventYoshifumi Noguchi, Miyabi Hiyama, Motoyuki Shiga, et al.Journal of Chemical Theory and Computation|August 17, 2019
Low-Cost Molecular Excited States from a State-Averaged Resonating Hartree-Fock ApproachJacob Nite, Carlos A Jiménez-HoyosJournal of Chemical Theory and Computation|February 28, 2019
The SIRAH 2.0 Force Field: Altius, Fortius, CitiusMatías R Machado, Exequiel E Barrera, Florencia Klein, et al.Journal of Chemical Theory and Computation|February 28, 2019
Toward Prediction of Electrostatic Parameters for Force Fields That Explicitly Treat Electronic PolarizationEsther Heid, Markus Fleck, Payal Chatterjee, et al.Journal of Chemical Theory and Computation|March 2, 2019
Assessing the Accuracy of Different Solvation Models To Describe Protein AdsorptionMaria Ortega, J G Vilhena, Pamela Rubio-Pereda, et al.Journal of Chemical Theory and Computation|March 5, 2019
Ion-Hydroxyl Interactions: From High-Level Quantum Benchmarks to Transferable Polarizable Force FieldsVered Wineman-Fisher, Yasmine Al-Hamdani, Iqbal Addou, et al.Journal of Chemical Theory and Computation|March 6, 2019
Simulating Water Exchange to Buried Binding SitesIdo Y Ben-Shalom, Charles Lin, Tom Kurtzman, et al.Journal of Chemical Theory and Computation|March 6, 2019
Robust Determination of Protein Allosteric Signaling PathwaysWesley M Botello-Smith, Yun LuoJournal of Chemical Theory and Computation|November 15, 2018
Multilevel Approach for Direct VSCF/VCI MULTIMODE Calculations with Applications to Large "Zundel" CationsJake A Tan, Jer-Lai KuoJournal of Chemical Theory and Computation|November 15, 2018
Improvements to the AMOEBA Force Field by Introducing Anisotropic Atomic Polarizability of the Water MoleculeAkshaya K Das, Omar N Demerdash, Teresa Head-GordonPageof 1,126