Justin Alan Lemkul
Affiliations: | Virginia Polytechnic Institute and State University, Blacksburg, VA, United States |
Area:
Biochemistry, computational chemistryWebsite:
http://www.thelemkullab.com/Google:
"Justin Lemkul"Bio:
https://www.researchgate.net/profile/Justin_Lemkul
https://scholar.google.com/citations?user=bxkkPjsAAAAJ&hl=en
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Parents
Sign in to add mentor| David R Bevan | grad student | 2007-2012 | Virginia Tech |
| Alex MacKerell | post-doc | 2013-2017 | University of Maryland, Baltimore |
Children
Sign in to add trainee| Alexa M Salsbury | grad student | 2017-2021 | Virginia Tech |
| Alexsandra N Corrigan | grad student | 2019-2021 | Virginia Tech |
| Brian D Ratnasinghe | grad student | 2019-2021 | Virginia Tech |
| Darcy S Davidson | grad student | 2017-2022 | Virginia Tech |
| Haley M. Michel | grad student | 2020-2025 | Virginia Tech |
| Marcelo D. Polêto | post-doc | 2020- | Virginia Tech |
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Publications
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| Polêto MD, Lemkul JA. (2024) Structural and Electronic Properties of Poly(ethylene terephthalate) (PET) from Polarizable Molecular Dynamics Simulations. Macromolecules. 58: 403-414 |
| Nan Y, Baral P, Orr AA, et al. (2024) Balancing Group 1 Monoatomic Ion-Polar Compound Interactions in the Polarizable Drude Force Field: Application in Protein and Nucleic Acid Systems. The Journal of Physical Chemistry. B |
| Polêto MD, Allen KD, Lemkul JA. (2024) Structural Dynamics of the Methyl-Coenzyme M Reductase Active Site Are Influenced by Coenzyme F Modifications. Biochemistry |
| Michel HM, Lemkul JA. (2024) Base Pair Dynamics, Electrostatics, and Thermodynamics at the LTR-III Quadruplex:Duplex Junction. Biophysical Journal |
| Davidson DS, Lemkul JA. (2024) Pyroglutamylation modulates electronic properties and the conformational ensemble of the amyloid β-peptide. Proteins |
| Polêto MD, Lemkul JA. (2023) Differences in Conformational Sampling and Intrinsic Electric Fields Drive Ion Binding in Telomeric and TERRA G-Quadruplexes. Journal of Chemical Information and Modeling. 63: 6851-6862 |
| Polêto MD, Lemkul JA. (2023) Differences in Conformational Sampling and Intrinsic Electric Fields Drive Ion Binding in Telomeric and TERRA G-Quadruplexes. Biorxiv : the Preprint Server For Biology |
| Wacha AF, Lemkul JA. (2023) charmm2gmx: An Automated Method to Port the CHARMM Additive Force Field to GROMACS. Journal of Chemical Information and Modeling |
| Giacon N, Lo Cascio E, Davidson DS, et al. (2023) Monomeric and dimeric states of human ZO1-PDZ2 are functional partners of the SARS-CoV-2 E protein. Computational and Structural Biotechnology Journal. 21: 3259-3271 |
| Davidson DS, Kraus JA, Montgomery JM, et al. (2022) Effects of Familial Alzheimer's Disease Mutations on the Folding Free Energy and Dipole-Dipole Interactions of the Amyloid β-Peptide. The Journal of Physical Chemistry. B |