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Journal of Chemical Theory and Computation|January 11, 2021
Implicit Solvation Using the Superposition Approximation (IS-SPA): Extension to Peptides in a Polar SolventPeter T Lake, Max A Mattson, Martin McCullaghThe Journal of Physical Chemistry. B|April 24, 2018
Elucidating Structural Evolution of Perylene Diimide Aggregates Using Vibrational Spectroscopy and Molecular Dynamics SimulationsMax A Mattson, Thomas D Green, Peter T Lake, et al.Journal of Chemical Theory and Computation|November 10, 2017
Implicit Solvation Using the Superposition Approximation (IS-SPA): An Implicit Treatment of the Nonpolar Component to Solvation for Simulating Molecular AggregationPeter T Lake, Martin McCullaghJournal of Chemical Theory and Computation|August 20, 2016
Deriving Coarse-Grained Charges from All-Atom Systems: An Analytic SolutionPeter McCullagh, Peter T Lake, Martin McCullaghThe Journal of Physical Chemistry. B|December 5, 2018
Initial Aggregation and Ordering Mechanism of Diphenylalanine from Microsecond All-Atom Molecular Dynamics SimulationsJakob Anderson, Peter T Lake, Martin McCullaghJournal of Chemical Theory and Computation|April 7, 2020
Residue-Level Allostery Propagates through the Effective Coarse-Grained HessianPeter T Lake, Russell B Davidson, Heidi Klem, et al.The Journal of Physical Chemistry. B|July 30, 2021
Role of ATP in the RNA Translocation Mechanism of SARS-CoV-2 NSP13 HelicaseRyan Weber, Martin McCullaghBiorxiv : the Preprint Server for Biology|July 9, 2025
Allosteric Regulation of RNA Affinity by Motif V-VI Coupling in West Nile Virus NS3 HelicasePriti Roy, Martin McCullaghProteins|January 20, 2026
Allosteric Regulation of RNA Affinity by Motif V-VI Coupling in West Nile Virus NS3 HelicasePriti Roy, Martin McCullaghThe Journal of Physical Chemistry. B|February 12, 2020
The Role of Hydrophobicity in the Stability and pH-Switchability of (RXDX)4 and Coumarin-(RXDX)4 Conjugate β-SheetsRyan Weber, Martin McCullaghPageof 5