| Alzheimer’s Aβ10–40 peptide binds and penetrates DMPC bilayer: an isobaric–isothermal replica exchange molecular dynamics study C Lockhart, DK Klimov The Journal of Physical Chemistry B 118 (10), 2638-2648, 2014 | 56 | 2014 |
| Does replica exchange with solute tempering efficiently sample Aβ peptide conformational ensembles? AK Smith, C Lockhart, DK Klimov Journal of Chemical Theory and Computation 12 (10), 5201-5214, 2016 | 51 | 2016 |
| Explicit solvent molecular dynamics simulations of Aβ peptide interacting with ibuprofen ligands C Lockhart, S Kim, DK Klimov The Journal of Physical Chemistry B 116 (43), 12922-12932, 2012 | 39 | 2012 |
| Binding of Aβ peptide creates lipid density depression in DMPC bilayer C Lockhart, DK Klimov Biochimica et Biophysica Acta (BBA)-Biomembranes 1838 (10), 2678-2688, 2014 | 30 | 2014 |
| Cholesterol changes the mechanisms of Aβ peptide binding to the DMPC bilayer C Lockhart, DK Klimov Journal of Chemical Information and Modeling 57 (10), 2554-2565, 2017 | 27 | 2017 |
| Calcium enhances binding of Aβ monomer to DMPC lipid bilayer C Lockhart, DK Klimov Biophysical journal 108 (7), 1807-1818, 2015 | 23 | 2015 |
| Is the Conformational Ensemble of Alzheimer’s Aβ10-40 Peptide Force Field Dependent? CM Siwy, C Lockhart, DK Klimov PLOS Computational Biology 13 (1), e1005314, 2017 | 22 | 2017 |
| Molecular interactions of Alzheimer's biomarker FDDNP with Aβ peptide C Lockhart, DK Klimov Biophysical journal 103 (11), 2341-2351, 2012 | 20 | 2012 |
| The Alzheimer's disease Aβ peptide binds to the anionic DMPS lipid bilayer C Lockhart, DK Klimov Biochimica et Biophysica Acta (BBA)-Biomembranes 1858 (6), 1118-1128, 2016 | 19 | 2016 |
| Methionine oxidation changes the mechanism of Aβ peptide binding to the DMPC bilayer C Lockhart, AK Smith, DK Klimov Scientific Reports 9 (1), 5947, 2019 | 18 | 2019 |
| Three popular force fields predict consensus mechanism of amyloid β peptide binding to the dimyristoylgylcerophosphocholine bilayer C Lockhart, AK Smith, DK Klimov Journal of Chemical Information and Modeling 60 (4), 2282-2293, 2020 | 12 | 2020 |
| Revealing hidden helix propensity in Aβ peptides by molecular dynamics simulations C Lockhart, DK Klimov The Journal of Physical Chemistry B 117 (40), 12030-12038, 2013 | 9 | 2013 |
| Mechanisms of binding of antimicrobial peptide PGLa to DMPC/DMPG membrane SR Bowers, DK Klimov, C Lockhart Journal of Chemical Information and Modeling 62 (6), 1525-1537, 2022 | 7 | 2022 |
| Met35 oxidation hinders aβ25-35 peptide aggregation within the dimyristoylphosphatidylcholine bilayer E Khayat, C Lockhart, BM Delfing, AK Smith, DK Klimov ACS Chemical Neuroscience 12 (17), 3225-3236, 2021 | 7 | 2021 |
| Do Cholesterol and Sphingomyelin Change the Mechanism of Aβ25–35 Peptide Binding to Zwitterionic Bilayer? AK Smith, E Khayat, C Lockhart, DK Klimov Journal of Chemical Information and Modeling 59 (12), 5207-5217, 2019 | 7 | 2019 |
| Does amino acid sequence determine the properties of Aβ dimer? C Lockhart, S Kim, R Kumar, DK Klimov The Journal of chemical physics 135 (3), 2011 | 5 | 2011 |
| Greedy replica exchange algorithm for heterogeneous computing grids C Lockhart, J O’Connor, S Armentrout, DK Klimov Journal of molecular modeling 21, 1-12, 2015 | 4 | 2015 |
| Replica exchange with hybrid tempering efficiently samples PGLa peptide binding to anionic bilayer SR Bowers, C Lockhart, DK Klimov Journal of Chemical Theory and Computation 19 (18), 6532-6550, 2023 | 2 | 2023 |
| All-Atom Explicit-Solvent Replica-Exchange Molecular Dynamics Simulations of the Alzheimer's Disease Aβ Monomer C Lockhart George Mason University, 2015 | 2 | 2015 |
| Binding of Venezuelan Equine Encephalitis Virus Inhibitors to Importin-α Receptors Explored with All-Atom Replica Exchange Molecular Dynamics BM Delfing, A Olson, XE Laracuente, KW Foreman, M Paige, K Kehn-Hall, ... The Journal of Physical Chemistry B 127 (14), 3175-3186, 2023 | 1 | 2023 |
