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Cell Reports. Physical Science|June 16, 2025
Robustness in biomolecular simulations: Addressing challenges in data generation, analysis, and curationAnne M Brown, Justin A LemkulJournal of Molecular Biology|May 22, 2018
Insights into Stabilizing Forces in Amyloid Fibrils of Differing Sizes from Polarizable Molecular Dynamics SimulationsDarcy S Davidson, Anne M Brown, Justin A LemkulArchives of Biochemistry and Biophysics|January 15, 2014
Simulations of monomeric amyloid β-peptide (1-40) with varying solution conditions and oxidation state of Met35: implications for aggregationAnne M Brown, Justin A Lemkul, Nicholas Schaum, et al.Biorxiv : the Preprint Server for Biology|January 9, 2026
Drude SILCS-Nucleic: Harnessing Explicit Electronic Polarization in Targeting RNA and DNA for Drug DesignHaley M Michel, Anne M Brown, Alexander D MacKerell, et al.Journal of Biomolecular Structure & Dynamics|September 14, 2013
Comparing atomistic molecular mechanics force fields for a difficult target: a case study on the Alzheimer's amyloid β-peptideStacey R Gerben, Justin A Lemkul, Anne M Brown, et al.Biophysical Journal|July 5, 2018
HIV-1 Env gp41 Transmembrane Domain Dynamics Are Modulated by Lipid, Water, and Ion InteractionsLouis R Hollingsworth, Justin A Lemkul, David R Bevan, et al.The Journal of Physical Chemistry. B|September 21, 2024
Introductory Tutorials for Simulating Protein Dynamics with GROMACSJustin A LemkulMethods in Molecular Biology (Clifton, N.J.)|July 24, 2021
Preparing and Analyzing Polarizable Molecular Dynamics Simulations with the Classical Drude Oscillator ModelJustin A LemkulNucleic Acids Research|December 7, 2019
Same fold, different properties: polarizable molecular dynamics simulations of telomeric and TERRA G-quadruplexesJustin A LemkulProgress in Molecular Biology and Translational Science|March 9, 2020
Pairwise-additive and polarizable atomistic force fields for molecular dynamics simulations of proteinsJustin A LemkulPageof 13