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Proceedings of the National Academy of Sciences of the United States of America|July 25, 2018
Computational discovery of chemically patterned surfaces that effect unique hydration water dynamicsJacob I Monroe, M Scott Shell
The Journal of Chemical Physics|January 3, 2016
Entropic (de)stabilization of surface-bound peptides conjugated with polymersScott P Carmichael, M Scott Shell
Journal of Chemical Theory and Computation|November 18, 2015
Free energy surface of an intrinsically disordered protein: comparison between temperature replica exchange molecular dynamics and bias-exchange metadynamicsGül H Zerze, Cayla M Miller, Daniele Granata, et al.
Biorxiv : the Preprint Server for Biology|August 12, 2025
Sticky Interactions Govern Sequence-Dependent Dynamics in Biomolecular CondensatesKeerthivasan Muthukumar, Dinesh Sundaravadivelu Devarajan, Young C Kim, et al.
Current Opinion in Chemical Biology|June 2, 2023
Challenges in studying the liquid-to-solid phase transitions of proteins using computer simulationsBeata Szała-Mendyk, Tien Minh Phan, Priyesh Mohanty, et al.
The Journal of Chemical Physics|August 4, 2007
How short-range attractions impact the structural order, self-diffusivity, and viscosity of a fluidWilliam P Krekelberg, Jeetain Mittal, Venkat Ganesan, et al.
Biophysical Journal|September 27, 2012
Inclusion of many-body effects in the additive CHARMM protein CMAP potential results in enhanced cooperativity of α-helix and β-hairpin formationRobert B Best, Jeetain Mittal, Michael Feig, et al.
Protein Science : a Publication of the Protein Society|May 2, 2021
Improved coarse-grained model for studying sequence dependent phase separation of disordered proteinsRoshan Mammen Regy, Jacob Thompson, Young C Kim, et al.
Nature Communications|May 4, 2019
Using symmetry to elucidate the importance of stoichiometry in colloidal crystal assemblyNathan A Mahynski, Evan Pretti, Vincent K Shen, et al.
Proceedings of the National Academy of Sciences of the United States of America|January 2, 2026
Sticky interactions govern sequence-dependent dynamics in biomolecular condensatesKeerthivasan Muthukumar, Dinesh Sundaravadivelu Devarajan, Young C Kim, et al.
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