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Journal of Chemical Theory and Computation|April 27, 2019
Toward Accurate Hydrogen Bonds by Scalable Quantum Monte CarloMatúš Dubecký, Petr Jurečka, Lubos Mitas, et al.Journal of Chemical Theory and Computation|April 11, 2019
Formulation and Implementation of the Spin-Restricted Ensemble-Referenced Kohn-Sham Method in the Context of the Density Functional Tight Binding ApproachIn Seong Lee, Michael Filatov, Seung Kyu MinJournal of Chemical Theory and Computation|May 29, 2019
AMOEBA+ Classical Potential for Modeling Molecular InteractionsChengwen Liu, Jean-Philip Piquemal, Pengyu RenJournal of Chemical Theory and Computation|May 30, 2019
Transition-Dipole Moments for Electronic Excitations in Strong Magnetic Fields Using Equation-of-Motion and Linear Response Coupled-Cluster TheoryFlorian Hampe, Stella StopkowiczJournal of Chemical Theory and Computation|May 4, 2019
Fitting Corrections to an RNA Force Field Using Experimental DataAndrea Cesari, Sandro Bottaro, Kresten Lindorff-Larsen, et al.Journal of Chemical Theory and Computation|September 24, 2021
Chemistrees: Data-Driven Identification of Reaction Pathways via Machine LearningSander Roet, Christopher D Daub, Enrico RiccardiJournal of Chemical Theory and Computation|November 2, 2021
Inq, a Modern GPU-Accelerated Computational Framework for (Time-Dependent) Density Functional TheoryXavier Andrade, Chaitanya Das Pemmaraju, Alexey Kartsev, et al.Journal of Chemical Theory and Computation|October 15, 2021
Enhanced Molecular Dynamics Method to Efficiently Increase the Discrimination Capability of Computational Protein-Protein DockingNicola Scafuri, Miguel A Soler, Andrea Spitaleri, et al.Journal of Chemical Theory and Computation|October 18, 2021
Tumuc1: A New Accurate DNA Force Field Consistent with High-Level Quantum ChemistryKorbinian Liebl, Martin ZachariasJournal of Chemical Theory and Computation|October 18, 2021
SGOOP-d: Estimating Kinetic Distances and Reaction Coordinate Dimensionality for Rare Event Systems from Biased/Unbiased SimulationsSun-Ting Tsai, Zachary Smith, Pratyush TiwaryPageof 1,140