Dmitri K Klimov

26PUBLICATIONS
3CO-AUTHORS
Atomic and molecular physicsComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Statistical mechanics in chemistryBiologically active moleculesMedical infection agents (incl. prions)
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Publications (26)

|Aug 31, 2026
Replica Exchange Molecular Dynamics with Hydrogen Mass Repartitioning Improves Sampling of Peptide Binding to a Lipid Bilayer.

|Jan 09, 2026
Accelerating Replica Exchange Molecular Dynamics: A Comparison of Hydrogen Mass Repartitioning and Light Water Models.

Steven R Bowers, William Jeffries, Christopher Lockhart

|Oct 22, 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

|Sep 17, 2025
Ligands binding diffusively to protein target act as inhibitors of protein-protein interactions.

William Jeffries, Bryan M Delfing, Xavier E Laracuente

|Aug 21, 2025
Binding of Antimicrobial Peptide Indolicidin to DMPC Bilayer Using Replica-Exchange Molecular Dynamics.

Alex R Fitz, Dmitri K Klimov, Christopher Lockhart

|Apr 07, 2025
Applying Absolute Free Energy Perturbation Molecular Dynamics to Diffusively Binding Ligands.

Xavier E Laracuente, Bryan M Delfing, Xingyu Luo

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Frequent Collaborators

7 joint publications

Christopher Lockhart

5 joint publications

Kenneth W Foreman

2 joint publications

Kyung Hyeon Lee