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Martin McCullagh

ORCID

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 15

Top Venues

The journal of physical chemistry. B

Journal of chemical theory and computation

PLoS computational biology

bioRxiv : the preprint server for biology

Oklahoma State University Stillwater

Northwestern University (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Oklahoma State University Stillwater Jan 1o 2020

United States

Assistant Professor :: Chemistry

Education History

Northwestern University

United States

PHD :: Chemistry

Publications

Subarna Sasmal, Martin McCullagh, Glen M Hocky
Reaction Coordinates for Conformational Transitions Using Linear Discriminant Analysis on Positions. Journal of chemical theory and computation (2023)
Monsurat M Lawal, Priti Roy, Martin McCullagh
The Role of ATP Hydrolysis and Product Release in the Translocation Mechanism of SARS-CoV-2 NSP13. bioRxiv : the preprint server for biology (2023)
Subarna Sasmal, Martin McCullagh, Glen M Hocky
Reaction Coordinates for Conformational Transitions Using Linear Discriminant Analysis on Positions. Journal of chemical theory and computation (2023)
Heidi Klem, Glen M Hocky, Martin McCullagh
Size-and-Shape Space Gaussian Mixture Models for Structural Clustering of Molecular Dynamics Trajectories. Journal of chemical theory and computation 18 (5) (2022)
Ryan Weber, Martin McCullagh
Role of ATP in the RNA Translocation Mechanism of SARS-CoV-2 NSP13 Helicase. The journal of physical chemistry. B 125 (31) (2021)
Peter T Lake, Max A Mattson, Martin McCullagh
Implicit Solvation Using the Superposition Approximation (IS-SPA): Extension to Peptides in a Polar Solvent. Journal of chemical theory and computation 17 (2) (2021)
Peter T Lake, Russell B Davidson, Heidi Klem, Glen M Hocky, Martin McCullagh
Residue-Level Allostery Propagates through the Effective Coarse-Grained Hessian. Journal of chemical theory and computation 16 (5) (2020)
Ryan Weber, Martin McCullagh
The Role of Hydrophobicity in the Stability and pH-Switchability of (RXDX)4 and Coumarin-(RXDX)4 Conjugate β-Sheets. The journal of physical chemistry. B 124 (9) (2020)
Russell B Davidson, Josie Hendrix, Brian J Geiss, Martin McCullagh
RNA-Dependent Structures of the RNA-Binding Loop in the Flavivirus NS3 Helicase. The journal of physical chemistry. B 124 (12) (2020)
Jacob M Remington, Martin McCullagh, Bern Kohler
Molecular Dynamics Simulations of 2-Aminopurine-Labeled Dinucleoside Monophosphates Reveal Multiscale Stacking Kinetics. The journal of physical chemistry. B 123 (10) (2019)
Russell B Davidson, Josie Hendrix, Brian J Geiss, Martin McCullagh
Allostery in the dengue virus NS3 helicase: Insights into the NTPase cycle from molecular simulations. PLoS computational biology 14 (4) (2018)
Max A Mattson, Thomas D Green, Peter T Lake, Martin McCullagh, Amber T Krummel
Elucidating Structural Evolution of Perylene Diimide Aggregates Using Vibrational Spectroscopy and Molecular Dynamics Simulations. The journal of physical chemistry. B 122 (18) (2018)
Jakob Anderson, Peter T Lake, Martin McCullagh
Initial Aggregation and Ordering Mechanism of Diphenylalanine from Microsecond All-Atom Molecular Dynamics Simulations. The journal of physical chemistry. B 122 (51) (2018)
Kevin A Votaw, Martin McCullagh
Characterization of the Search Complex and Recognition Mechanism of the AlkD-DNA Glycosylase. The journal of physical chemistry. B 123 (1) (2018)
Peter T Lake, Martin McCullagh
Implicit Solvation Using the Superposition Approximation (IS-SPA): An Implicit Treatment of the Nonpolar Component to Solvation for Simulating Molecular Aggregation. Journal of chemical theory and computation 13 (12) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Martin McCullagh