Dmitri K. Klimov

According to our database, Dmitri K. Klimov authored at least 10 papers between 2017 and 2023.

Collaborative distances:

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

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