Dmitri K. Klimov

13 papers Journal 13

Year	Rank	Type	Title / Venue / Authors
2025	J	`jnl`	Binding of Antimicrobial Peptide Indolicidin to DMPC Bilayer Using Replica-Exchange Molecular Dynamics. J. Chem. Inf. Model. Alex R. Fitz, Dmitri K. Klimov, Christopher Lockhart
2025	J	`jnl`	Free Energy Perturbation Simulations Measure the Change in Binding Affinity of the Aβ25-35 Peptide to the Zwitterionic Bilayer Caused by Oxidation. J. Chem. Inf. Model. Xingyu Luo, Elias Khayat, Steven R. Bowers, Bryan M. Delfing, Christopher Lockhart, Dmitri K. Klimov
2025	J	`jnl`	Ligands binding diffusively to protein target act as inhibitors of protein-protein interactions. PLoS Comput. Biol. 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
2024	J	`jnl`	Competitive Binding of Viral Nuclear Localization Signal Peptide and Inhibitor Ligands to Importin-α Nuclear Transport Protein. J. Chem. Inf. Model. 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
2023	J	`jnl`	Can Free Energy Perturbation Simulations Coupled with Replica-Exchange Molecular Dynamics Study Ligands with Distributed Binding Sites? J. Chem. Inf. Model. Christopher Lockhart, Xingyu Luo, Audrey Olson, Bryan M. Delfing, Xavier E. Laracuente, Kenneth W. Foreman, Mikell Paige, Kylene Kehn-Hall, Dmitri K. Klimov
2022	J	`jnl`	Machine learning-based prediction of drug and ligand binding in BCL-2 variants through molecular dynamics. Comput. Biol. Medicine John R. Hamre III, Dmitri K. Klimov, Matthew McCoy, Mohsin Saleet Jafri
2022	J	`jnl`	Mechanisms of Binding of Antimicrobial Peptide PGLa to DMPC/DMPG Membrane. J. Chem. Inf. Model. Steven R. Bowers, Dmitri K. Klimov, Christopher Lockhart
2020	J	`jnl`	Partitioning of Benzoic Acid into 1, 2-Dimyristoyl-sn-glycero-3-phosphocholine and Blood-Brain Barrier Mimetic Bilayers. J. Chem. Inf. Model. Christopher M. Siwy, Bryan M. Delfing, Amy K. Smith, Dmitri K. Klimov
2020	J	`jnl`	Three Popular Force Fields Predict Consensus Mechanism of Amyloid β Peptide Binding to the Dimyristoylgylcerophosphocholine Bilayer. J. Chem. Inf. Model. Christopher Lockhart, Amy K. Smith, Dmitri K. Klimov
2019	J	`jnl`	Do Cholesterol and Sphingomyelin Change the Mechanism of Aβ25-35 Peptide Binding to Zwitterionic Bilayer? J. Chem. Inf. Model. Amy K. Smith, Elias Khayat, Christopher Lockhart, Dmitri K. Klimov
2018	J	`jnl`	Binding of Cytotoxic Aβ25-35 Peptide to the Dimyristoylphosphatidylcholine Lipid Bilayer. J. Chem. Inf. Model. Amy K. Smith, Dmitri K. Klimov
2017	J	`jnl`	Cholesterol Changes the Mechanisms of Aβ Peptide Binding to the DMPC Bilayer. J. Chem. Inf. Model. Christopher Lockhart, Dmitri K. Klimov
2017	J	`jnl`	Is the Conformational Ensemble of Alzheimer's Aβ10-40 Peptide Force Field Dependent? PLoS Comput. Biol. Christopher M. Siwy, Christopher Lockhart, Dmitri K. Klimov