Dmitri Klimov

Affiliations: 
George Mason University, Washington, DC 
Area:
General Biophysics, Biochemistry, Computer Science
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"Dmitri Klimov"
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Publications

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Bowers SR, Lockhart C, Klimov DK. (2023) Replica Exchange with Hybrid Tempering Efficiently Samples PGLa Peptide Binding to Anionic Bilayer. Journal of Chemical Theory and Computation
Delfing BM, Laracuente XE, Olson A, et al. (2023) Binding of Viral Nuclear Localization Signal Peptides to Importin-α Nuclear Transport Protein. Biophysical Journal
Lockhart C, Luo X, Olson A, et al. (2023) Can Free Energy Perturbation Simulations Coupled with Replica-Exchange Molecular Dynamics Study Ligands with Distributed Binding Sites? Journal of Chemical Information and Modeling
Delfing BM, Olson A, Laracuente XE, et al. (2023) Binding of Venezuelan Equine Encephalitis Virus Inhibitors to Importin-α Receptors Explored with All-Atom Replica Exchange Molecular Dynamics. The Journal of Physical Chemistry. B
Khayat E, Delfing BM, Laracuente X, et al. (2023) Lysine Acetylation Changes the Mechanism of Aβ25-35 Peptide Binding and Dimerization in the DMPC Bilayer. Acs Chemical Neuroscience. 14: 494-505
Vergilio J, Lockhart C, Klimov DK. (2022) Transmembrane Aggregation of Aβ10-40 Peptides in an Anionic Lipid Bilayer. Journal of Chemical Information and Modeling. 62: 6228-6241
Bowers SR, Klimov DK, Lockhart C. (2022) Mechanisms of Binding of Antimicrobial Peptide PGLa to DMPC/DMPG Membrane. Journal of Chemical Information and Modeling
Gurunathan V, Hamre J, Klimov DK, et al. (2021) Data Mining of Molecular Simulations Suggest Key Amino Acid Residues for Aggregation, Signaling and Drug Action. Biomolecules. 11
Khayat E, Lockhart C, Delfing BM, et al. (2021) Met35 Oxidation Hinders Aβ25-35 Peptide Aggregation within the Dimyristoylphosphatidylcholine Bilayer. Acs Chemical Neuroscience
Siwy CM, Delfing BM, Lockhart C, et al. (2021) Partitioning of Aβ Peptide Fragments into Blood-Brain Barrier Mimetic Bilayer. The Journal of Physical Chemistry. B
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