Structural Bioinformatics, Biomolecular Simulations, and Artificial Intelligence
I am an Assistant Professor in the School of Systems Biology at George Mason University. Our lab develops and employs advanced computational methods to investigate molecular mechanisms. Our expertise includes isobaric-isothermal replica exchange molecular dynamics (REMD), free energy perturbation (FEP), de novo drug design, and artificial intelligence. Key focus areas of our research include the interaction of Alzheimer's disease Aβ peptides and antimicrobial peptides with lipid bilayers.
Prospective StudentsGMU's MS and PhD programs in Bioinformatics & Computational Biology are currently accepting new applications. For general information about the School of Systems Biology, please visit the SSB website. For details regarding graduate admissions and the application process, please refer to the SSB Admissions page.
Latest News
- Nov 2026Poster presentation: Schwarting, S. P., Espina, V., Russo, P., Herz, S., Khan, A., Rakholia, Y., Makar, S., Lockhart, C., Bos, P., Damaj, M., & Kabbani, N. "Proteomic Adaptations in the Spinal Cord and Dorsal Root Ganglia of a Breast Cancer Model of Paclitaxel-Induced Peripheral Neuropathy." Society for Neuroscience Annual Meeting (Neuroscience 2026), Washington, D.C., November 2026 (Poster presented by S. P. Schwarting).
- Nov 2026New publication: Laracuente, X. E., Delfing, B. M., Luo, X., Olson, A., Jeffries, W., Bowers, S. R., Foreman, K. W., Lee, K.-H., Paige, M., Kehn-Hall, K., Lockhart, C., & Klimov, D. K. (2026) Alchemical transfer free energy perturbation simulations reveal entropic mechanism governing the binding of a charged peptide to a protein target. J. Chem. Theory Comput. (published), doi: 10.1021/acs.jctc.6c01598
- Oct 2026In the news: George Mason University and VCU partnership seeks answers to chronic neuropathy pain after breast cancer treatment, George Mason University News.
- Sep 2026
- Sep 2026
- Aug 2026New publication: Bowers, S. R., Lockhart, C., & Klimov, D. K. (2026) Replica exchange molecular dynamics with hydrogen mass repartitioning improves sampling of peptide binding to a lipid bilayer. J. Chem. Theory Comput. 22(16): 8657-8668, doi: 10.1021/acs.jctc.6c01064
- Apr 2026New publication: Yi, F., Guo, J., Vo, T. T., Hetrick, B., Haikerwal, A., Zhou, Z., Sealey, L., He, S., Han, Y., Chilin, L., Spear, M., Yu, D., Kim, Y., Kashanchi, F., Zhou, T., Xu, X., Lockhart, C., & Wu, Y. (2026) Discovery of actinators, actin-derived bioactive peptides that modulate cytoskeleton and actin-related cellular activities. Sci. Adv. 12(16): eaeb5548, doi: 10.1126/sciadv.aeb5548
- Feb 2026Oral presentation: Xie, L., Lockhart, C., Klimov, D. K., & Jafri, M. S. "Accurate prediction of cancer drug resistant variants using molecular simulation, machine learning, and network modeling." Biophysical Society 70th Annual Meeting, San Francisco, CA, February 2026 (Talk presented by M. S. Jafri).
- Feb 2026Poster presentation: Xie, L., Lockhart, C., Klimov, D. K., & Jafri, M. S. "Accurate prediction of cancer drug resistant variants using molecular simulation, machine learning, and network modeling." Biophysical Society 70th Annual Meeting, San Francisco, CA, February 2026 (Poster presented by M. S. Jafri).
- Feb 2026Published abstract: Xie, L., Lockhart, C., Klimov, D. K., & Jafri, M. S. (2026) Accurate prediction of cancer drug resistant variants using molecular simulation, machine learning, and network modeling. Biophys. J. 125(4): 23a.
- Jan 2026New publication: Bowers, S. R., Jeffries, W., Lockhart, C., & Klimov, D. K. (2026) Accelerating replica exchange molecular dynamics: A comparison of hydrogen mass repartitioning and light water models. J. Chem. Theory Comput. 22(2): 1187-1197, doi: 10.1021/acs.jctc.5c01929
- Oct 2025New publication: Luo, X., Khayat, E., Bowers, S. R., Delfing, B. M., Lockhart, C., & Klimov, D. K. (2025) 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. 65(21): 12014-12026, doi: 10.1021/acs.jcim.5c02148
- Sep 2025New publication: Jeffries, W., Delfing, B. M., Laracuente, X. E., Luo, X., Olson, A., Foreman, K. W., Lee, K. H., Petruncio, G., De Benedictis, V., Paige, M., Kehn-Hall, K., Lockhart, C., & Klimov, D. K. (2025) Ligands binding diffusively to protein target act as inhibitors of protein-protein interactions. PLoS Comput. Biol. 21(9): e1013495, doi: 10.1371/journal.pcbi.1013495
- Aug 2025New publication: Xie, L., Lockhart, C., Klimov, D. K., & Jafri, M. S. (2025) Combining molecular dynamics and machine learning to predict drug resistance causing variants of BRAF in colorectal cancer. Molecules 30(17): 3556, doi: 10.3390/molecules30173556
- Aug 2025New publication: Fitz, A. R., Klimov, D. K., & Lockhart, C. (2025) Binding of antimicrobial peptide indolicidin to DMPC bilayer using replica-exchange molecular dynamics. J. Chem. Inf. Model. 65(17): 9251-9260, doi: 10.1021/acs.jcim.5c01153
- Jun 2025Poster presentation: He, S., Haikerwal, A., Tiwari, S., Dabbagh, D., Alam, M. Z., Yoon, J. L., Hetrick, B., Han, Y., Shan, L., Lockhart, C., & Wu, Y. "CD34 serves as an intrinsic innate immune guardrail protecting stem cells from replicating retroviruses." Southeastern Immunology Symposium, University of Virginia, Charlottesville, VA, June 2025 (Poster presented by A. Haikerwal).
- May 2025New publication: Han, Y., Sealey, L., Fu, Y., Delfing, B. M., Lockhart, C., Chilin, L., Tiwari, S., Jafri, M. S., Klimov, D. K., & Wu, Y. (2025) The decameric repeat (DR) of PSGL-1 functions as a basic antiviral unit in restricting HIV-1 infectivity. bioRxiv(posted), doi: 10.1101/2025.05.14.654117
- May 2025Oral presentation: He, S., Haikerwal, A., Tiwari, S., Dabbagh, D., Yoon, J. L., Hetrick, B., Han, Y., Shan, L., Lockhart, C., & Wu, Y. "CD34 functions as a host antiviral protein limiting HIV-1 proliferation in hematopoietic stem and progenitor cells." Retroviruses 50th Annual Meeting, Cold Spring Harbor Laboratory, Cold Spring Harbor, NY, May 2025 (Talk presented by S. He).
- May 2025Poster presentation: Tiwari, S., Delfing, B. M., Han, Y., Lockhart, C., Haikerwal, A., Waheed, A. A., Freed, E. O., Jafri, M. S., Klimov, D. K., & Wu, Y. "PSGL-1 excludes HIV Env from virion surface through spatial hindrance involving structural folding of the decameric repeats (DR)." Retroviruses 50th Annual Meeting, Cold Spring Harbor Laboratory, Cold Spring Harbor, NY, May 2025 (Poster presented by S. Tiwari).
- May 2025Oral presentation: Han, Y., Sealey, L., Fu, Y., Chilin, L., Tiwari, S., Lockhart, C., Delfing, B. M., Jafri, M. S., Klimov, D. K., & Wu, Y. "The decameric repeat of PSGL-1 functions as a basic antiviral unit in restricting HIV-1 infectivity." Retroviruses 50th Annual Meeting, Cold Spring Harbor Laboratory, Cold Spring Harbor, NY, May 2025 (Talk presented by Y. Han and B. M. Delfing).
- Apr 2025Oral presentation: Han, Y., Sealey, L., Fu, Y., Chilin, L., Tiwari, S., Lockhart, C., Delfing, B. M., Jafri, M. S., Klimov, D. K., & Wu, Y. "The decameric repeat of PSGL-1 functions as a basic antiviral unit in restricting HIV-1 infectivity." HIV Dynamics and Replication Program 28th Think Tank Meeting, National Cancer Institute, Frederick, MD, April 2025 (Talk presented by Y. Han and B. M. Delfing).
- Apr 2025Oral presentation: Tiwari, S., Delfing, B. M., Han, Y., Lockhart, C., Haikerwal, A., Jafri, M. S., Klimov, D. K., & Wu, Y. "PSGL-1 excludes HIV Env from virion surface through spatial hindrance involving structural folding of the decameric repeats." HIV Dynamics and Replication Program 28th Think Tank Meeting, National Cancer Institute, Frederick, MD, April 2025 (Talk presented by S. Tiwari and B. M. Delfing).
- Apr 2025New publication: Laracuente, X. E., Delfing, B. M., Luo, X., Olson, A., Jeffries, W., Bowers, S. R., Foreman, K. W., Lee, K.-H., Paige, M., Kehn-Hall, K., Lockhart, C., & Klimov, D. K. (2025) Applying absolute free energy perturbation molecular dynamics to diffusively binding ligands. J. Chem. Theory Comput. 21(8): 4286-4298, doi: 10.1021/acs.jctc.5c00121
- Mar 2025New publication: He, S., Haikerwal, A., Tiwari, S., Dabbagh, D., Alam, M. Z., Yoon, J. L., Hetrick, B., Han, Y., Shan, L., Lockhart, C., & Wu, Y. (2025) CD34 serves as an intrinsic innate immune guardrail protecting stem cells from replicating retroviruses. bioRxiv(posted), doi: 10.1101/2025.03.15.643450
- Feb 2025Poster presentation: Lockhart, C., Delfing, B. M., Laracuente, X. E., Olson, A., Luo, X., Jeffries, W., Foreman, K. W., Petruncio, G., Lee, K.-H., Paige, M., Kehn-Hall, K., & Klimov, D. K. "Understanding the molecular mechanism of Venezuelan equine encephalitis virus inhibition." Biophysical Society 69th Annual Meeting, Los Angeles, CA, February 2025. (Poster).
- Feb 2025Published abstract: Lockhart, C., Delfing, B. M., Laracuente, X. E., Olson, A., Luo, X., Jeffries, W., Foreman, K. W., Petruncio, G., Lee, K.-H., Paige, M., Kehn-Hall, K., & Klimov, D. K. (2025) Understanding the molecular mechanism of Venezuelan equine encephalitis virus inhibition. Biophys. J. 124(3): 220a.
- Jan 2025New publication: Xie, L., Lockhart, C., Bowers, S. R., Klimov, D. K., & Jafri, M. S. (2025) Structural analysis of amylin and amyloid β peptide signaling in Alzheimer’s disease. Biomolecules 15(1): 89, doi: 10.3390/biom15010089
- Dec 2024New publication: Tiwari, S., Delfing, B. M., Han, Y., Lockhart, C., Haikerwal, A., Waheed, A. A., Freed, E. O., Jafri, M. S., Klimov, D. K., & Wu, Y. (2024) PSGL-1 excludes HIV Env from virion surface through spatial hindrance involving structural folding of the decameric repeats (DR). bioRxiv(posted), doi: 10.1101/2024.12.28.630612v1
- Dec 2024New publication: Goldberg, J. F., de Filippi, C. R., Lockhart, C., McNair, E. R., Sinha, S., Kong, H., Najjar, S. S., Lohmar, B. J., Tchoukina, I., Shah, K., Feller, E., Hsu, S., Rodrigo, M. E., Jang, M., Marboe, C. C., Berry, G. J., Valantine, H. A., Agbor-Enoh, A., & Shah, P. (2024) Proteomics in acute heart transplant rejection, on behalf of the GRAfT Investigators. Transplantation 109(7): 1230-1240, doi: 10.1097/TP.0000000000005258
- Nov 2024In the news: Celebrating employee milestones: honoring years of dedication and service, Mason Science (5-year service milestone).
- Oct 2024
- Sep 2024New publication: Delfing, B. M., Laracuente, X. E., Luo, X., Olson, A., Jeffries, W., Foreman, K. W., Paige, M., Kehn-Hall, K., Lockhart, C., & Klimov, D. K. (2024) Binding of inhibitors to nuclear localization signal peptide from Venezuelan equine encephalitis virus capsid protein explored with all-atom replica exchange molecular dynamics. ACS Omega 9(38): 40259-40268, doi: 10.1021/acsomega.4c06981
- Aug 2024Poster presentation: Ganji, V. & Lockhart, C. "Screening aggregation breakers of Alzheimer's disease Aβ protofibrils using AutoDock CrankPep." Aspiring Scientists Summer Internship Program Research Celebration, George Mason University, Manassas, VA, August 2024 (Poster presented by V. Ganji).
- Jun 2024New publication: Delfing, B. M., Laracuente, X. E., Jeffries, W., Luo, X., Olson, A., Foreman, K. W., Petruncio, G., Lee, K. H., Paige, M., Kehn-Hall, K., Lockhart, C., & Klimov, D. K. (2024) Competitive binding of viral nuclear localization signal peptide and inhibitor ligands to importin-α nuclear transport protein. J. Chem. Inf. Model. 64(13): 5262-5272, doi: 10.1021/acs.jcim.4c00626
- May 2024Lab news: Welcomed V. Ganji to the laboratory as a Summer 2024 ASSIP intern.
- Feb 2024New publication: Bowers, S. R., Lockhart, C., & Klimov, D. K. (2024) Binding and dimerization of PGLa peptides in anionic lipid bilayer studied by replica exchange molecular dynamics. Sci. Rep. 14: 4972, doi: 10.1038/s41598-024-55270-8
- Dec 2023In the news: Faculty Friday, Mason Science (faculty feature).
- Oct 2023
- Oct 2023
- Oct 2023
- Oct 2023
- Sep 2023New publication: Bowers, S. R., Lockhart, C., & Klimov, D. K. (2023) Replica exchange with hybrid tempering efficiently samples PGLa peptide binding to anionic bilayer. J. Chem. Theory Comput. 19(18): 6532-6550, doi: 10.1021/acs.jctc.3c00787
- Sep 2023New publication: Delfing, B. M., Laracuente, X. E., Olson, A., Foreman, K. W., Paige, M., Kehn-Hall, K., Lockhart, C., & Klimov, D. K. (2023) Binding of viral nuclear localization signal peptides to importin-α nuclear transport protein. Biophys. J. 122(17): 3476-3488, doi: 10.1016/j.bpj.2023.07.024
- Aug 2023Poster presentation: Díaz Delgado, M. J. & Lockhart, C. "Network analysis of replica exchange simulations." Aspiring Scientists Summer Internship Program Research Celebration, George Mason University, Manassas, VA, August 2023 (Poster presented by M. Díaz Delgado).
- Aug 2023Poster presentation: Jain, S. & Lockhart, C. "RexDash: A comprehensive dashboard for analyzing the technical performance of replica-exchange molecular dynamics simulations." Aspiring Scientists Summer Internship Program Research Celebration, George Mason University, Manassas, VA, August 2023 (Poster presented by S. Jain).
- Aug 2023Poster presentation: Chawla, M. & Lockhart, C. "De novo drug design for a protein binding site." Aspiring Scientists Summer Internship Program Research Celebration, George Mason University, Manassas, VA, August 2023 (Poster presented by M. Chawla).
- Aug 2023Poster presentation: Gohil, K. & Lockhart, C. "Binding of indolicidin to the DMPC bilayer using molecular dynamics simulations." Aspiring Scientists Summer Internship Program Research Celebration, George Mason University, Manassas, VA, August 2023 (Poster presented by K. Gohil).
- Aug 2023New publication: Lockhart, C., Luo, X., Olson, A., Delfing, B. M., Laracuente, X. E., Foreman, K. W., Paige, M., Kehn-Hall, K., & Klimov, D. K. (2023) Can free energy perturbation simulations coupled with replica-exchange molecular dynamics study ligands with distributed binding sites? J. Chem. Inf. Model. 63(15): 4791-4802, doi: 10.1021/acs.jcim.3c00631
- May 2023Lab news: Welcomed M. J. Díaz Delgado, S. Jain, M. Chawla, and K. Gohil to the laboratory as Summer 2023 ASSIP interns.
- Apr 2023Oral presentation: Goldberg, J. F., de Filippi, C. R., Lockhart, C., McNair, E. R., Sinha, S., Kong, H., Najjar, S. S., Lohmar, B. J., Tchoukina, I., Shah, K., Feller, E., Hsu, S., Rodrigo, M. E., Jang, M., Marboe, C., Berry, G. J., Valantine, H. A., Agbor-Enoh, S., & Shah, P. "Dysregulated circulating proteins in cellular and antibody-mediated rejection, on behalf of the GRAfT Investigators." ISHLT 43rd Annual Meeting, Denver, CO, April 2023 (Talk presented by J. F. Goldberg).
- Apr 2023Published abstract: Goldberg, J. F., de Filippi, C. R., Lockhart, C., McNair, E. R., Sinha, S., Kong, H., Najjar, S. S., Lohmar, B. J., Tchoukina, I., Shah, K., Feller, E., Hsu, S., Rodrigo, M. E., Jang, M., Marboe, C., Berry, G. J., Valantine, H. A., Agbor-Enoh, S., Shah, P. (2023) Dysregulated circulating proteins in cellular and antibody-mediated rejection, on behalf of the GRAfT investigators. J. Heart Lung Transplant. 42(4): S67-S68.
- Mar 2023New publication: Delfing, B. M., Olson, A., Laracuente, X. E., Foreman, K. W., Paige, M., Kehn-Hall, K., Lockhart, C., & Klimov, D. K. (2023) Binding of Venezuelan equine encephalitis virus inhibitors to importin-α receptors explored with all-atom replica exchange molecular dynamics. J. Phys. Chem. B 127(14): 3175-3186, doi: 10.1021/acs.jpcb.3c00429
- Jan 2023New publication: Khayat, E., Delfing, B. M., Laracuente, X. E., Olson, A., Lockhart, C., & Klimov, D. K. (2023) Lysine acetylation changes the mechanism of Aβ25-35 peptide binding and dimerization in the DMPC bilayer. ACS Chem. Neurosci. 14(3): 494-505, doi: 10.1021/acschemneuro.2c00722
- Dec 2022
- Dec 2022In the news: Mason Science celebrates faculty and staff success and contributions, Mason Science (Dean's Research Support Award).
- Dec 2022New publication: Vergilio, J., Lockhart, C., & Klimov, D. K. (2022) De novo transmembrane aggregation of Aβ10-40 peptides in an anionic lipid bilayer. J. Chem. Inf. Model. 62(23): 6228-6241, doi: 10.1021/acs.jcim.2c01192
- Aug 2022Oral presentation: Gohil, K. & Lockhart, C. "Evaluating reduced and oxidized Aβ peptides using machine learning." Aspiring Scientists Summer Internship Program Research Celebration, George Mason University, Manassas, VA, August 2022 (Talk presented by K. Gohil).
- May 2022Lab news: Welcomed K. Gohil to the laboratory as a Summer 2022 ASSIP intern.
- Mar 2022New publication: Bowers, S. R., Klimov, D. K., & Lockhart, C. (2022) Mechanisms of binding of antimicrobial peptide PGLa to DMPC/DMPG membrane. J. Chem. Inf. Model. 62(6): 1525-1537, doi: 10.1021/acs.jcim.1c01518
- Aug 2021New publication: Khayat, E., Lockhart, C., Delfing, B. M., Smith, A. K., & Klimov, D. K. (2021) Met35 oxidation hinders Aβ25-35 peptide aggregation within the dimyristoylphosphatidylcholine bilayer. ACS Chem. Neurosci. 12(17): 3225-3236, doi: 10.1021/acschemneuro.1c00407
- Mar 2021New publication: Siwy, C. M., Delfing, B. M., Lockhart, C., Smith, A. K., & Klimov, D. K. (2021) Partitioning of Aβ peptide fragments into blood–brain barrier mimetic bilayer. J. Phys. Chem. B 125(10): 2658-2676, doi: 10.1021/acs.jpcb.0c11253
- Mar 2020New publication: Lockhart, C., Smith, A. K., & Klimov, D. K. (2020) Three popular force fields predict consensus mechanism of amyloid β peptide binding to the dimyristoylglycerophosphocholine bilayer. J. Chem. Inf. Model. 60(4): 2282-2293, doi: 10.1021/acs.jcim.0c00096
- Feb 2020Poster presentation: Lockhart, C., Smith, A. K., & Klimov, D. K. "Methionine oxidation alters the mechanism of Aβ interaction with DMPC bilayers." Biophysical Society 64th Annual Meeting, San Diego, CA, February 2020. (Poster).
- Feb 2020Published abstract: Lockhart, C., Smith, A. K., & Klimov, D. K. (2020) Methionine oxidation alters the mechanism of Aβ interaction with DMPC bilayers. Biophys. J. 118(3): 61a.
- Nov 2019New publication: Smith, A. K., Khayat, E., Lockhart, C., & Klimov, D. K. (2019) Do cholesterol and sphingomyelin change the mechanism of Aβ25-35 peptide binding to zwitterionic bilayer? J. Chem. Inf. Model. 59(12): 5207-5217, doi: 10.1021/acs.jcim.9b00763
- Apr 2019New publication: Lockhart, C., Smith, A. K., & Klimov, D. K. (2019) Methionine oxidation changes the mechanism of Aβ peptide binding to the DMPC bilayer. Sci. Rep. 9(1): 5947, doi: 10.1038/s41598-019-42304-9
- Sep 2017New publication: Lockhart, C. & Klimov, D. K. (2017) Cholesterol changes the mechanisms of Aβ peptide binding to the DMPC bilayer. J. Chem. Inf. Model. 57(10): 2554-2565, doi: 10.1021/acs.jcim.7b00431
- Feb 2017Poster presentation: Lockhart, C. & Klimov, D. K. "Probing the binding of Aβ peptides to lipid bilayers." Biophysical Society 61st Annual Meeting, New Orleans, LA, February 2017. (Poster).
- Feb 2017Published abstract: Lockhart, C. & Klimov, D. K. (2017) Probing the binding of Aβ peptides to lipid bilayers. Biophys. J. 112(3): 364a.
- Jan 2017New publication: Siwy, C. M., Lockhart, C., & Klimov, D. K. (2017) Is the conformational ensemble of Alzheimer's Aβ10-40 peptide force field dependent? PLoS Comput. Biol. 13(1): e1005314, doi: 10.1371/journal.pcbi.1005314
- Aug 2016New publication: Smith, A. K., Lockhart, C., & Klimov, D. K. (2016) Does replica exchange with solute tempering efficiently sample Aβ peptide conformational ensembles? J. Chem. Theory Comput. 12(10): 5201-5214, doi: 10.1021/acs.jctc.6b00660
- Mar 2016New publication: Lockhart, C. & Klimov, D. K. (2016) The Alzheimer's disease Aβ peptide binds to the anionic DMPS lipid bilayer. Biochim. Biophys. Acta 1858(6): 1118-1128, doi: 10.1016/j.bbamem.2016.03.001
- Oct 2015Invited talk: Lockhart, C. "Molecular dynamics simulations of peptides relevant to Alzheimer's disease." Colloquia of Computational Materials Science Center, George Mason University, Fairfax, VA, October 2015. (Invited talk).
- Aug 2015New publication: Lockhart, C. (2015) All-Atom Explicit-Solvent Replica-Exchange Molecular Dynamics Simulations of the Alzheimer's Disease Aβ Monomer PhD Dissertation, George Mason University
- Aug 2015New publication: Lockhart, C., O'Connor, J., Armentrout, S., & Klimov, D. K. (2015) Greedy replica exchange algorithm for heterogeneous computing grids. J. Mol. Model. 21(9): 243, doi: 10.1007/s00894-015-2763-5
- Apr 2015New publication: Lockhart, C. & Klimov, D. K. (2015) Calcium enhances binding of Aβ monomer to DMPC lipid bilayer. Biophys. J. 108(7): 1807-1818, doi: 10.1016/j.bpj.2015.03.001
- Feb 2015Poster presentation: Lockhart, C. & Klimov, D. K. "Binding of Aβ monomer to DMPC bilayer using isobaric-isothermal replica-exchange molecular dynamics." Biophysical Society 59th Annual Meeting, Baltimore, MD, February 2015. (Poster).
- Feb 2015Published abstract: Lockhart, C. & Klimov, D. K. (2015) Binding of Aβ monomer to DMPC bilayer using isobaric-isothermal replica-exchange molecular dynamics. Biophys. J. 108(2): 64a-65a.
- Dec 2014Oral presentation: Lockhart, C. & Klimov, D. K. "Binding of Aβ to DMPC bilayer." Student Research Day, School of Systems Biology, George Mason University, Manassas, VA, December 2014. (Oral presentation).
- Jul 2014New publication: Lockhart, C. & Klimov, D. K. (2014) Binding of Aβ peptide creates lipid density depression in DMPC bilayer. Biochim. Biophys. Acta 1838(10): 2678-2688, doi: 10.1016/j.bbamem.2014.07.010
- May 2014In the news: Mass number-crunching may help crack Alzheimer's disease code, BrightSurf, reposting a George Mason University news release (mentioned as a graduate student).
- Feb 2014New publication: Lockhart, C. & Klimov, D. K. (2014) Alzheimer's Aβ10-40 peptide binds and penetrates DMPC bilayer: an isobaric-isothermal replica exchange molecular dynamics study. J. Phys. Chem. B 118(10): 2638-2648, doi: 10.1021/jp412153s
- Sep 2013New publication: Lockhart, C. & Klimov, D. K. (2013) Revealing hidden helix propensity in Aβ peptides by molecular dynamics simulations. J. Phys. Chem. B 117(40): 12030-12038, doi: 10.1021/jp407705j
- Feb 2013Oral presentation: Lockhart, C. & Klimov, D. K. "Binding of FDDNP biomarker to Alzheimer's disease Aβ peptide." Biophysical Society 57th Annual Meeting, Philadelphia, PA, February 2013. (Oral presentation).
- Feb 2013Published abstract: Lockhart, C. & Klimov, D. K. (2013) Binding of FDDNP biomarker to Alzheimer's disease Aβ peptide. Biophys. J. 104(2): 360a.
- Dec 2012Oral presentation: Lockhart, C. & Klimov, D. K. "Binding of FDDNP biomarker to Alzheimer's disease Aβ peptide." Student Research Day, School of Systems Biology, George Mason University, Manassas, VA, December 2012. (Award-winning oral presentation).
- Dec 2012New publication: Lockhart, C. & Klimov, D. K. (2012) Molecular interactions of Alzheimer's biomarker FDDNP with Aβ peptide. Biophys. J. 103(11): 2341-2351, doi: 10.1016/j.bpj.2012.10.003
- Oct 2012New publication: Lockhart, C., Kim, S., & Klimov, D. K. (2012) Explicit solvent molecular dynamics simulations of Aβ peptide interacting with ibuprofen ligands. J. Phys. Chem. B 116(43): 12922-12932, doi: 10.1021/jp306208n
- Jul 2011New publication: Lockhart, C., Kim, S., Kumar, R., & Klimov, D. K. (2011) Does amino acid sequence determine the properties of Aβ dimer? J. Chem. Phys. 135: 35103, doi: 10.1063/1.3610427