Dmitri K. Klimov

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 11

Top Topics

Molecular Dynamics

Major Histocompatibility Complex

Top Venues

J. Chem. Inf. Model.

Comput. Biol. Medicine

PLoS Comput. Biol.

Publications

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) (2024)
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) (2023)
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) (2022)
James Vergilio, Christopher Lockhart, Dmitri K. Klimov
Transmembrane Aggregation of Aβ10-40 Peptides in an Anionic Lipid Bilayer. J. Chem. Inf. Model. 62 (23) (2022)
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 (2022)
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) (2020)
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) (2020)
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) (2019)
Amy K. Smith, Dmitri K. Klimov
Binding of Cytotoxic Aβ25-35 Peptide to the Dimyristoylphosphatidylcholine Lipid Bilayer. J. Chem. Inf. Model. 58 (5) (2018)
Christopher Lockhart, Dmitri K. Klimov
Cholesterol Changes the Mechanisms of Aβ Peptide Binding to the DMPC Bilayer. J. Chem. Inf. Model. 57 (10) (2017)
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)