Kateri H. DuBay, Ph.D.

Affiliations: 
2009 University of California, Berkeley, Berkeley, CA 
Area:
Theoretical Chemistry
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"Kateri DuBay"
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Parents

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Phillip L. Geissler grad student 2009 UC Berkeley
 (Protein side-chain fluctuations: A computational study of entropy and correlation.)
Richard A. Friesner post-doc 2010-2013 Columbia
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Publications

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Merz SN, Hoover E, Egorov SA, et al. (2019) Predicting the effect of chain-length mismatch on phase separation in noble metal nanoparticle monolayers with chemically mismatched ligands. Soft Matter
Zhang Z, DuBay KH. (2019) Modeling the Influence of Emergent and Self-Limiting Phase Separations among Nascent Oligomers on Polymer Sequences Formed during Irreversible Step-Growth Copolymerizations Macromolecules. 52: 5480-5490
DuBay KH, Iwan K, Osorio-Planes L, et al. (2018) A predictive approach for the optical control of carbonic anhydrase II activity. Acs Chemical Biology
Zhu X, Bheemireddy SR, Sambasivarao SV, et al. (2016) Construction of Donor-Acceptor Polymers via Cyclopentannulation of Poly(arylene ethynylene)s Macromolecules. 49: 127-133
DuBay KH, Bowman GR, Geissler PL. (2015) Fluctuations within folded proteins: implications for thermodynamic and allosteric regulation. Accounts of Chemical Research. 48: 1098-105
Dubay KH, Boman GR, Geissler PL. (2015) Fluctuations ithin folded proteins: Implications for thermodynamic and allosteric regulation Accounts of Chemical Research. 48: 1098-1105
Weisman AL, DuBay KH, Willets KA, et al. (2014) A first-principles polarized Raman method for determining whether a uniform region of a sample is crystalline or isotropic. The Journal of Chemical Physics. 141: 224702
Dell EJ, Capozzi B, DuBay KH, et al. (2013) Impact of molecular symmetry on single-molecule conductance. Journal of the American Chemical Society. 135: 11724-7
Traub MC, Dubay KH, Ingle SE, et al. (2013) Chromophore-controlled self-assembly of highly ordered polymer nanostructures Journal of Physical Chemistry Letters. 4: 2520-2524
DuBay KH, Hall ML, Hughes TF, et al. (2012) Accurate Force Field Development for Modeling Conjugated Polymers. Journal of Chemical Theory and Computation. 8: 4556-4569
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