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ORCIDDmitri K. Klimov
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Journal Articles
- 2024
[j11]Bryan M. Delfing, Xavier E. Laracuente, William Jeffries, Xingyu Luo, Audrey Olson
, Kenneth W. Foreman, Greg Petruncio, Kyung Hyeon Lee, Mikell Paige, Kylene Kehn-Hall, Christopher Lockhart, Dmitri K. Klimov:
Competitive Binding of Viral Nuclear Localization Signal Peptide and Inhibitor Ligands to Importin-α Nuclear Transport Protein. J. Chem. Inf. Model. 64(13): 5262-5272 (2024)- 2023
- [j10]Christopher Lockhart, Xingyu Luo, Audrey Olson, Bryan M. Delfing, Xavier E. Laracuente, Kenneth W. Foreman, Mikell Paige, Kylene Kehn-Hall, Dmitri K. Klimov:
Can Free Energy Perturbation Simulations Coupled with Replica-Exchange Molecular Dynamics Study Ligands with Distributed Binding Sites? J. Chem. Inf. Model. 63(15): 4791-4802 (2023) - 2022
- [j9]John R. Hamre III, Dmitri K. Klimov, Matthew McCoy, Mohsin Saleet Jafri:
Machine learning-based prediction of drug and ligand binding in BCL-2 variants through molecular dynamics. Comput. Biol. Medicine 140: 105060 (2022) - [j8]Steven R. Bowers, Dmitri K. Klimov, Christopher Lockhart:
Mechanisms of Binding of Antimicrobial Peptide PGLa to DMPC/DMPG Membrane. J. Chem. Inf. Model. 62(6): 1525-1537 (2022) - [j7]James Vergilio, Christopher Lockhart, Dmitri K. Klimov:
De Novo Transmembrane Aggregation of Aβ10-40 Peptides in an Anionic Lipid Bilayer. J. Chem. Inf. Model. 62(23): 6228-6241 (2022) - 2020
- [j6]Christopher Lockhart, Amy K. Smith, Dmitri K. Klimov:
Three Popular Force Fields Predict Consensus Mechanism of Amyloid β Peptide Binding to the Dimyristoylgylcerophosphocholine Bilayer. J. Chem. Inf. Model. 60(4): 2282-2293 (2020) - [j5]Christopher M. Siwy, Bryan M. Delfing, Amy K. Smith, Dmitri K. Klimov:
Partitioning of Benzoic Acid into 1, 2-Dimyristoyl-sn-glycero-3-phosphocholine and Blood-Brain Barrier Mimetic Bilayers. J. Chem. Inf. Model. 60(8): 4030-4046 (2020) - 2019
- [j4]Amy K. Smith, Elias Khayat, Christopher Lockhart, Dmitri K. Klimov:
Do Cholesterol and Sphingomyelin Change the Mechanism of Aβ25-35 Peptide Binding to Zwitterionic Bilayer? J. Chem. Inf. Model. 59(12): 5207-5217 (2019) - 2018
- [j3]Amy K. Smith, Dmitri K. Klimov:
Binding of Cytotoxic Aβ25-35 Peptide to the Dimyristoylphosphatidylcholine Lipid Bilayer. J. Chem. Inf. Model. 58(5): 1053-1065 (2018) - 2017
- [j2]Christopher Lockhart, Dmitri K. Klimov:
Cholesterol Changes the Mechanisms of Aβ Peptide Binding to the DMPC Bilayer. J. Chem. Inf. Model. 57(10): 2554-2565 (2017) - [j1]Christopher M. Siwy, Christopher Lockhart, Dmitri K. Klimov:
Is the Conformational Ensemble of Alzheimer's Aβ10-40 Peptide Force Field Dependent? PLoS Comput. Biol. 13(1) (2017)
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