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The Journal of Chemical Physics|February 2, 2015
Hybrid molecular-continuum simulations using smoothed dissipative particle dynamicsNikolai D Petsev, L Gary Leal, M Scott Shell
Proceedings of the National Academy of Sciences of the United States of America|May 26, 2026
amyloid-predict and LLPS-predict: Predicting phase separation propensities in the intrinsically disordered proteomeSamuel Lobo, Leif Griem, M Scott Shell, et al.
Biorxiv : the Preprint Server for Biology|June 22, 2026
Context-Aware Hydrophobicity Modeling: HydroMap and FastHydroMapSamuel Lobo, Saeed Najafi, Joan-Emma Shea, et al.
The Journal of Physical Chemistry. B|June 26, 2025
Hydrophobicity in Intrinsically Disordered Protein Force Fields: Implications for Conformational Ensembles and Protein-Protein InteractionsSamuel Lobo, Saeed Najafi, M Scott Shell, et al.
The Journal of Physical Chemistry. B|February 5, 2025
Context Dependency of Hydrophobicity in Intrinsically Disordered Proteins: Insights from a New Dewetting Free Energy-Based Hydrophobicity ScaleSaeed Najafi, Samuel Lobo, M Scott Shell, et al.
Science Advances|September 25, 2019
Size-dependent thermodynamic structural selection in colloidal crystallizationEvan Pretti, Hasan Zerze, Minseok Song, et al.
Soft Matter|March 6, 2020
Grand canonical inverse design of multicomponent colloidal crystalsNathan A Mahynski, Runfang Mao, Evan Pretti, et al.
The Journal of Chemical Physics|July 8, 2025
Molecularly informed field-theoretic models of confined fluidsCharles Li, Kris T Delaney, M Scott Shell, et al.
The Journal of Chemical Physics|June 28, 2013
Multiscale modeling with smoothed dissipative particle dynamicsPandurang M Kulkarni, Chia-Chun Fu, M Scott Shell, et al.
Proceedings of the National Academy of Sciences of the United States of America|September 15, 2020
Exploring the landscape of model representationsThomas T Foley, Katherine M Kidder, M Scott Shell, et al.
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