Publications by authors named "Christopher Lockhart"

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Free Energy Perturbation Simulations Measure the Change in Binding Affinity of the Aβ25-35 Peptide to the Zwitterionic Bilayer Caused by Oxidation.
Xingyu Luo, Elias Khayat, Steven R Bowers, Bryan M Delfing, Christopher Lockhart

J Chem Inf Model· November 2025

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Binding of Antimicrobial Peptide Indolicidin to DMPC Bilayer Using Replica-Exchange Molecular Dynamics.
Alex R Fitz, Dmitri K Klimov, Christopher Lockhart

J Chem Inf Model· September 2025

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Ligands binding diffusively to protein target act as inhibitors of protein-protein interactions.
William Jeffries, Bryan M Delfing, Xavier E Laracuente, Xingyu Luo, Audrey Olson, Christopher Lockhart

PLoS Comput Biol· September 2025

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Combining Molecular Dynamics and Machine Learning to Predict Drug Resistance Causing Variants of BRAF in Colorectal Cancer.
Longsheng Xie, Christopher Lockhart, Dmitri K Klimov, Mohsin Saleet Jafri

Molecules· August 2025

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Proteomics in Acute Heart Transplant Rejection, on Behalf of the GRAfT Investigators.
Jason F Goldberg, Christopher R deFilippi, Christopher Lockhart, Erick R McNair, Shashank S Sinha

Transplantation· July 2025

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The decameric repeat (DR) of PSGL-1 functions as a basic antiviral unit in restricting HIV-1 infectivity.
Yang Han, Leanna Sealey, Yajing Fu, Bryan M Delfing, Christopher Lockhart

bioRxiv· May 2025

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Applying Absolute Free Energy Perturbation Molecular Dynamics to Diffusively Binding Ligands.
Xavier E Laracuente, Bryan M Delfing, Xingyu Luo, Audrey Olson, William Jeffries, Christopher Lockhart

J Chem Theory Comput· April 2025

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CD34 serves as an intrinsic innate immune guardrail protecting stem cells from replicating retroviruses.
Sijia He, Amrita Haikerwal, Sameer Tiwari, Deemah Dabbagh, Mohammed Z Alam, Christopher Lockhart

bioRxiv· March 2025

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Structural Analysis of Amylin and Amyloid β Peptide Signaling in Alzheimer's Disease.
Longsheng Xie, Christopher Lockhart, Steven R Bowers, Dmitri K Klimov, Mohsin Saleet Jafri

Biomolecules· January 2025

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PSGL-1 excludes HIV Env from virion surface through spatial hindrance involving structural folding of the decameric repeats (DR).
Sameer Tiwari, Bryan M Delfing, Yang Han, Christopher Lockhart, Amrita Haikerwal

bioRxiv· December 2024

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Binding of Inhibitors to Nuclear Localization Signal Peptide from Venezuelan Equine Encephalitis Virus Capsid Protein Explored with All-Atom Replica Exchange Molecular Dynamics.
Bryan M Delfing, Xavier E Laracuente, Xingyu Luo, Audrey Olson, William Jeffries, Christopher Lockhart

ACS Omega· September 2024

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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, Christopher Lockhart

J Chem Inf Model· July 2024

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Repair of a fistula between the aorta and right ventricular outflow tract secondary to infective endocarditis of a unicuspid aortic valve and previously repaired ventricular septal defect.
Rickesh B Karsan, Katie E O'Sullivan, Christopher J Lockhart, Christopher Austin

J Cardiothorac Surg· April 2024

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Binding and dimerization of PGLa peptides in anionic lipid bilayer studied by replica exchange molecular dynamics.
Steven R Bowers, Christopher Lockhart, Dmitri K Klimov

Sci Rep· February 2024

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Binding of viral nuclear localization signal peptides to importin-α nuclear transport protein.
Bryan M Delfing, Xavier E Laracuente, Audrey Olson, Kenneth W Foreman, Mikell Paige, Christopher Lockhart

Biophys J· September 2023

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Replica Exchange with Hybrid Tempering Efficiently Samples PGLa Peptide Binding to Anionic Bilayer.
Steven R Bowers, Christopher Lockhart, Dmitri K Klimov

J Chem Theory Comput· September 2023

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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

J Chem Inf Model· August 2023

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Binding of Venezuelan Equine Encephalitis Virus Inhibitors to Importin-α Receptors Explored with All-Atom Replica Exchange Molecular Dynamics.
Bryan M Delfing, Audrey Olson, Xavier E Laracuente, Kenneth W Foreman, Mikell Paige, Christopher Lockhart

J Phys Chem B· April 2023

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The coronavirus disease pandemic among adult congenital heart disease patients and the lessons learnt - results of a prospective multicenter european registry.
Francisco Javier Ruperti-Repilado, Helmut Baumgartner, Berto Bouma, Judith Bouchardy, Werner Budts, Christopher Lockhart

Int J Cardiol Congenit Heart Dis· March 2023

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The sanctity of life: The role of purity in attitudes towards abortion and euthanasia.
Christopher Lockhart, Carol H J Lee, Chris G Sibley, Danny Osborne

Int J Psychol· February 2023

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Lysine Acetylation Changes the Mechanism of Aβ25-35 Peptide Binding and Dimerization in the DMPC Bilayer.
Elias Khayat, Bryan M Delfing, Xavier Laracuente, Audrey Olson, Christopher Lockhart

ACS Chem Neurosci· February 2023

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Transmembrane Aggregation of Aβ10-40 Peptides in an Anionic Lipid Bilayer.
James Vergilio, Christopher Lockhart, Dmitri K Klimov

J Chem Inf Model· December 2022

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Mechanisms of Binding of Antimicrobial Peptide PGLa to DMPC/DMPG Membrane.
Steven R Bowers, Dmitri K Klimov, Christopher Lockhart

J Chem Inf Model· March 2022

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Met35 Oxidation Hinders Aβ25-35 Peptide Aggregation within the Dimyristoylphosphatidylcholine Bilayer.
Elias Khayat, Christopher Lockhart, Bryan M Delfing, Amy K Smith, Dmitri K Klimov

ACS Chem Neurosci· September 2021

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Assessment of the conjunctival microcirculation in adult patients with cyanotic congenital heart disease compared to healthy controls.
Paul F Brennan, Min Jing, Andrew J McNeil, Agnes Awuah, Jonathan Mailey, Christopher J Lockhart

Microvasc Res· July 2021

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