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Journal of Chemical Theory and Computation|September 7, 2023
Replica Exchange with Hybrid Tempering Efficiently Samples PGLa Peptide Binding to Anionic BilayerSteven R Bowers, Christopher Lockhart, Dmitri K KlimovJournal of Chemical Information and Modeling|March 10, 2022
Mechanisms of Binding of Antimicrobial Peptide PGLa to DMPC/DMPG MembraneSteven R Bowers, Dmitri K Klimov, Christopher LockhartScientific Reports|February 29, 2024
Binding and dimerization of PGLa peptides in anionic lipid bilayer studied by replica exchange molecular dynamicsSteven R Bowers, Christopher Lockhart, Dmitri K KlimovJournal of Chemical Theory and Computation|January 9, 2026
Accelerating Replica Exchange Molecular Dynamics: A Comparison of Hydrogen Mass Repartitioning and Light Water ModelsSteven R Bowers, William Jeffries, Christopher Lockhart, et al.Biomolecules|January 25, 2025
Structural Analysis of Amylin and Amyloid β Peptide Signaling in Alzheimer's DiseaseLongsheng Xie, Christopher Lockhart, Steven R Bowers, et al.Journal of Chemical Information and Modeling|October 22, 2025
Free Energy Perturbation Simulations Measure the Change in Binding Affinity of the Aβ25-35 Peptide to the Zwitterionic Bilayer Caused by OxidationXingyu Luo, Elias Khayat, Steven R Bowers, et al.Journal of Chemical Theory and Computation|April 7, 2025
Applying Absolute Free Energy Perturbation Molecular Dynamics to Diffusively Binding LigandsXavier E Laracuente, Bryan M Delfing, Xingyu Luo, et al.Pageof 1