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The Journal of Chemical Physics|August 3, 2018
Mesoscopic coarse-grained representations of fluids rigorously derived from atomistic modelsYining Han, James F Dama, Gregory A VothThe Journal of Chemical Physics|October 5, 2013
Fitting coarse-grained distribution functions through an iterative force-matching methodLanyuan Lu, James F Dama, Gregory A VothPhysical Review Letters|July 5, 2014
Well-tempered metadynamics converges asymptoticallyJames F Dama, Michele Parrinello, Gregory A VothJournal of Chemical Theory and Computation|January 24, 2017
The Theory of Ultra-Coarse-Graining. 3. Coarse-Grained Sites with Rapid Local Equilibrium of Internal StatesJames F Dama, Jaehyeok Jin, Gregory A VothJournal of Chemical Theory and Computation|November 18, 2015
Designing free energy surfaces that match experimental data with metadynamicsAndrew D White, James F Dama, Gregory A VothJournal of Chemical Theory and Computation|November 18, 2015
Predicting the Sensitivity of Multiscale Coarse-Grained Models to their Underlying Fine-Grained Model ParametersJacob W Wagner, James F Dama, Gregory A VothJournal of Chemical Theory and Computation|November 21, 2015
Transition-Tempered Metadynamics: Robust, Convergent Metadynamics via On-the-Fly Transition Barrier EstimationJames F Dama, Grant Rotskoff, Michele Parrinello, et al.Journal of Chemical Theory and Computation|March 28, 2017
Simulating Protein Mediated Hydrolysis of ATP and Other Nucleoside Triphosphates by Combining QM/MM Molecular Dynamics with Advances in MetadynamicsRui Sun, Olaseni Sode, James F Dama, et al.Journal of Chemical Theory and Computation|November 22, 2015
Solvent Free Ionic Solution Models from Multiscale Coarse-GrainingZhen Cao, James F Dama, Lanyuan Lu, et al.The Journal of Chemical Physics|April 22, 2019
Coarse-graining involving virtual sites: Centers of symmetry coarse-grainingJaehyeok Jin, Yining Han, Gregory A VothPageof 50