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The Voth Group

The Voth Group

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  • Gregory Voth
  • Group
    • Past Members
  • Research
    • Theory of Coarse-Graining and Multiscale Phenomena
    • Charge Transport
    • Renewable Energy Materials
    • Simulations of Biomolecular Systems
    • Software: OpenMSCG
    • Software: RAPTOR
  • Archives
  • Publications

Publications

Author Title Type [ Year(Asc)]
Filters: Author is Durumeric, AEP  [Clear All Filters]
2023
Peng Y, Pak AJ, Durumeric AEP, Mani S, Jin J, Sahrmann PG, Loose TD, Beiter J, Voth GA. OpenMSCG: A Software Tool for Multiscale Coarse-graining. J. Phys. Chem. B. 2023 ;127:8537–8550.
  • PubMed
  • DOI
Durumeric AEP, Voth GA. Using classifiers to understand coarse-grained models and their fidelity with the underlying all-atom systems. J. Chem. Phys. 2023 ;158(23):234101.
  • PubMed
  • DOI
Sahrmann PG, Loose TD, Durumeric AEP, Voth GA. Utilizing Machine Learning to Greatly Expand the Range and Accuracy of Bottom-Up Coarse-Grained Models through Virtual Particles. J. Chem. Theory Comput. 2023 ;19(14):4402–4413.
  • PubMed
  • DOI
2022
Jin J, Pak AJ, Durumeric AEP, Loose TD, Voth GA. Bottom-up Coarse-Graining: Principles and Perspectives. J. Chem. Theory Comput. 2022 ;18(10):5759–5791.
  • PubMed
  • DOI
2019
Durumeric AEP, Voth GA. Adversarial-Residual-Coarse-Graining: Applying Machine Learning Theory to Systematic Molecular Coarse-Graining. J. Chem. Phys. 2019 ;151(12):124110.
  • PubMed
  • DOI
Dannenhoffer-Lafage T, Wagner JW, Durumeric AEP, Voth GA. Compatible Observable Decompositions for Coarse-grained Representations of Real Molecular Systems. J. Chem. Phys. 2019 ;151(13):134115.
  • PubMed
  • DOI
2018
Katkar HH, Davtyan A, Durumeric AEP, Hocky GM, Schramm CS, De La Cruz EM, Voth GA. Insights into the Cooperative Nature of ATP Hydrolysis in Actin Filaments. Biophys. J. 2018 ;115(18):1589–1602.
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