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Martin McCullagh, Ph.D.

Affiliations: 
2010 Chemistry Northwestern University, Evanston, IL 
Area:
theory and computation as applies to problems in nanotechnology, properties of materials, macromolecular structures and dynamics, molecular self-assembly, optics, materials physics and biophysics
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"Martin McCullagh"
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Parents

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George C. Schatz grad student 2010 Northwestern
 (Gaining an Atomistic Understanding of DNA using Molecular Dynamics.)
Gregory A. Voth post-doc Chicago

Children

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Heidi R Klem grad student 2018- Colorado State
Russell Bruce Davidson grad student 2014-2020 Colorado State

Collaborators

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Glen M Hocky collaborator
BETA: Related publications

Publications

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Klem H, Hocky GM, McCullagh M. (2022) Size-and-Shape Space Gaussian Mixture Models for Structural Clustering of Molecular Dynamics Trajectories. Journal of Chemical Theory and Computation
Klem H, McCullagh M, Paton RS. (2021) Modeling Catalysis in Allosteric Enzymes: Capturing Conformational Consequences. Topics in Catalysis. 65: 165-186
Weber R, McCullagh M. (2021) Role of ATP in the RNA Translocation Mechanism of SARS-CoV-2 NSP13 Helicase. The Journal of Physical Chemistry. B. 125: 8787-8796
Du Pont KE, Sexton NR, McCullagh M, et al. (2020) A Hyperactive Kunjin Virus NS3 Helicase Mutant Demonstrates Increased Dissemination and Mortality in Mosquitoes. Journal of Virology
Lake PT, Davidson RB, Klem H, et al. (2020) Residue-Level Allostery Propagates Through the Effective Coarse-Grained Hessian. Journal of Chemical Theory and Computation
Davidson RB, Hendrix J, Geiss BJ, et al. (2020) RNA-Dependent Structures of the RNA-Binding Loop in the Flavivirus NS3 Helicase. The Journal of Physical Chemistry. B
Du Pont KE, Davidson RB, McCullagh M, et al. (2019) Motif V regulates energy transduction between the flavivirus NS3 ATPase and RNA-binding cleft. The Journal of Biological Chemistry
Remington JM, McCullagh M, Kohler B. (2019) Molecular Dynamics Simulations of 2-Aminopurine-Labeled Dinucleoside Monophosphates Reveal Multiscale Stacking Kinetics. The Journal of Physical Chemistry. B
Davidson RB, McCullagh M. (2019) Theoretical Modeling of the RNA-Enhanced NTPase Activity of Dengue and Zika NS3 Helicases Biophysical Journal. 116: 434a-435a
Davidson RB, McCullagh M. (2019) Lβ3β4 Conformations of the Flaviviridae NS3h Protein Biophysical Journal. 116: 434a
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