Dmitri K. Klimov

According to our database, Dmitri K. Klimov authored at least 14 papers between 2017 and 2025.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2025

Ligands binding diffusively to protein target act as inhibitors of protein-protein interactions.

William Jeffries, Bryan M. Delfing, Xavier E. Laracuente, Xingyu Luo, Audrey Olson, Kenneth W. Foreman, Kyung Hyeon Lee, Greg Petruncio, Vito De Benedictis, Mikell Paige, Kylene Kehn-Hall, Christopher Lockhart, Dmitri K. Klimov

PLoS Comput. Biol., 2025

Free Energy Perturbation Simulations Measure the Change in Binding Affinity of the Aβ25-35 Peptide to the Zwitterionic Bilayer Caused by Oxidation.

Xingyu Luo, Elias Khayat, Steven R. Bowers, Bryan M. Delfing, Christopher Lockhart, Dmitri K. Klimov

J. Chem. Inf. Model., 2025

Binding of Antimicrobial Peptide Indolicidin to DMPC Bilayer Using Replica-Exchange Molecular Dynamics.

Alex R. Fitz, Dmitri K. Klimov, Christopher Lockhart

J. Chem. Inf. Model., 2025

2024

Competitive Binding of Viral Nuclear Localization Signal Peptide and Inhibitor Ligands to Importin-α Nuclear Transport Protein.

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

J. Chem. Inf. Model., 2024

2023

Can Free Energy Perturbation Simulations Coupled with Replica-Exchange Molecular Dynamics Study Ligands with Distributed Binding Sites?

Christopher Lockhart, Xingyu Luo, Audrey Olson, Bryan M. Delfing, Xavier E. Laracuente, Kenneth W. Foreman, Mikell Paige, Kylene Kehn-Hall, Dmitri K. Klimov

J. Chem. Inf. Model., August, 2023

2022

<i>De Novo</i> Transmembrane Aggregation of Aβ10-40 Peptides in an Anionic Lipid Bilayer.

James Vergilio, Christopher Lockhart, Dmitri K. Klimov

J. Chem. Inf. Model., 2022

Mechanisms of Binding of Antimicrobial Peptide PGLa to DMPC/DMPG Membrane.

Steven R. Bowers, Dmitri K. Klimov, Christopher Lockhart

J. Chem. Inf. Model., 2022

Machine learning-based prediction of drug and ligand binding in BCL-2 variants through molecular dynamics.

John R. Hamre III, Dmitri K. Klimov, Matthew McCoy, Mohsin Saleet Jafri

Comput. Biol. Medicine, 2022

2020

Partitioning of Benzoic Acid into 1, 2-Dimyristoyl-sn-glycero-3-phosphocholine and Blood-Brain Barrier Mimetic Bilayers.

Christopher M. Siwy, Bryan M. Delfing, Amy K. Smith, Dmitri K. Klimov

J. Chem. Inf. Model., 2020

Three Popular Force Fields Predict Consensus Mechanism of Amyloid β Peptide Binding to the Dimyristoylgylcerophosphocholine Bilayer.

Christopher Lockhart, Amy K. Smith, Dmitri K. Klimov

J. Chem. Inf. Model., 2020

2019

Do Cholesterol and Sphingomyelin Change the Mechanism of Aβ25-35 Peptide Binding to Zwitterionic Bilayer?

Amy K. Smith, Elias Khayat, Christopher Lockhart, Dmitri K. Klimov

J. Chem. Inf. Model., 2019

2018

Binding of Cytotoxic Aβ25-35 Peptide to the Dimyristoylphosphatidylcholine Lipid Bilayer.

Amy K. Smith, Dmitri K. Klimov

J. Chem. Inf. Model., 2018

2017

Cholesterol Changes the Mechanisms of Aβ Peptide Binding to the DMPC Bilayer.

Christopher Lockhart, Dmitri K. Klimov

J. Chem. Inf. Model., October, 2017

Is the Conformational Ensemble of Alzheimer's Aβ10-40 Peptide Force Field Dependent?

Christopher M. Siwy, Christopher Lockhart, Dmitri K. Klimov

PLoS Comput. Biol., 2017