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)

Cholesterol Changes the Mechanisms of Aβ Peptide Binding to the DMPC Bilayer. - Christopher Lockhart; Dmitri K. Klimov (J. Chem. Inf. Model., 2017)

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)

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)

Mechanisms of Binding of Antimicrobial Peptide PGLa to DMPC/DMPG Membrane. - Steven R. Bowers; Dmitri K. Klimov; Christopher Lockhart (J. Chem. Inf. Model., 2022)

De Novo Transmembrane Aggregation of Aβ10-40 Peptides in an Anionic Lipid Bilayer. - James Vergilio; Christopher Lockhart; Dmitri K. Klimov (J. Chem. Inf. Model., 2022)

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., 2023)

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)