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The Journal of Chemical Physics|October 3, 2019
Adversarial-residual-coarse-graining: Applying machine learning theory to systematic molecular coarse-grainingAleksander E P Durumeric, Gregory A VothThe Journal of Chemical Physics|June 15, 2023
Using classifiers to understand coarse-grained models and their fidelity with the underlying all-atom systemsAleksander E P Durumeric, Gregory A VothJournal of Chemical Theory and Computation|February 21, 2023
Utilizing Machine Learning to Greatly Expand the Range and Accuracy of Bottom-Up Coarse-Grained Models through Virtual ParticlesPatrick G Sahrmann, Timothy D Loose, Aleksander E P Durumeric, et al.The Journal of Chemical Physics|August 1, 2016
On the representability problem and the physical meaning of coarse-grained modelsJacob W Wagner, James F Dama, Aleksander E P Durumeric, et al.The Journal of Chemical Physics|October 10, 2019
Compatible observable decompositions for coarse-grained representations of real molecular systemsThomas Dannenhoffer-Lafage, Jacob W Wagner, Aleksander E P Durumeric, et al.Journal of Chemical Theory and Computation|September 7, 2022
Bottom-up Coarse-Graining: Principles and PerspectivesJaehyeok Jin, Alexander J Pak, Aleksander E P Durumeric, et al.Biophysical Journal|September 26, 2018
Insights into the Cooperative Nature of ATP Hydrolysis in Actin FilamentsHarshwardhan H Katkar, Aram Davtyan, Aleksander E P Durumeric, et al.The Journal of Physical Chemistry. B|October 4, 2023
OpenMSCG: A Software Tool for Bottom-Up Coarse-GrainingYuxing Peng, Alexander J Pak, Aleksander E P Durumeric, et al.Proceedings of the National Academy of Sciences of the United States of America|November 9, 2017
Immature HIV-1 lattice assembly dynamics are regulated by scaffolding from nucleic acid and the plasma membraneAlexander J Pak, John M A Grime, Prabuddha Sengupta, et al.Nature Communications|March 16, 2026
Learning data-efficient coarse-grained molecular dynamics from forces and noiseAleksander E P Durumeric, Yaoyi Chen, Aldo S Pasos-Trejo, et al.Pageof 50