Search Results - "Sprenger, Kayla G"
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Multiscale affinity maturation simulations to elicit broadly neutralizing antibodies against HIV
Published in PLoS computational biology (20-04-2022)“…The design of vaccines against highly mutable pathogens, such as HIV and influenza, requires a detailed understanding of how the adaptive immune system…”
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Common framework mutations impact antibody interfacial dynamics and flexibility
Published in Frontiers in immunology (23-02-2023)“…With the flood of engineered antibodies, there is a heightened need to elucidate the structural features of antibodies that contribute to specificity,…”
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Moving the needle: Employing deep reinforcement learning to push the boundaries of coarse-grained vaccine models
Published in Frontiers in immunology (03-11-2022)“…Highly mutable infectious disease pathogens (hm-IDPs) such as HIV and influenza evolve faster than the human immune system can contain them, allowing them to…”
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Investigating how HIV-1 antiretrovirals differentially behave as substrates and inhibitors of P-glycoprotein via molecular dynamics simulations
Published in Computational and structural biotechnology journal (01-12-2024)“…HIV-1 can rapidly infect the brain upon initial infection, establishing latent reservoirs that induce neuronal damage and/or death, resulting in HIV-Associated…”
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Regulatory Approved Monoclonal Antibodies Contain Framework Mutations Predicted From Human Antibody Repertoires
Published in Frontiers in immunology (27-09-2021)“…Monoclonal antibodies (mAbs) are an important class of therapeutics used to treat cancer, inflammation, and infectious diseases. Identifying highly developable…”
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Roadmap on biology in time varying environments
Published in Physical biology (17-05-2021)“…Biological organisms experience constantly changing environments, from sudden changes in physiology brought about by feeding, to the regular rising and setting…”
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Optimizing immunization protocols to elicit broadly neutralizing antibodies
Published in Proceedings of the National Academy of Sciences - PNAS (18-08-2020)“…Natural infections and vaccination with a pathogen typically stimulate the production of potent antibodies specific for the pathogen through a Darwinian…”
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Sequence–Structure–Binding Relationships Reveal Adhesion Behavior of the Car9 Solid-Binding Peptide: An Integrated Experimental and Simulation Study
Published in Journal of the American Chemical Society (05-02-2020)“…Solid-binding peptides (SBPs) recognizing inorganic and synthetic interfaces have enabled a broad range of materials science applications and hold promise as…”
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One-shot identification of SARS-CoV-2 S RBD escape mutants using yeast screening
Published in Cell reports (Cambridge) (31-08-2021)“…The potential emergence of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) spike (S) escape mutants is a threat to the efficacy of existing…”
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Analysis of Poly(ethylene terephthalate) degradation kinetics of evolved IsPETase variants using a surface crowding model
Published in The Journal of biological chemistry (01-03-2024)“…Poly(ethylene terephthalate) (PET) is a major plastic polymer utilized in the single-use and textile industries. The discovery of PET-degrading enzymes…”
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Inhibition of the Exoglucanase Cel7A by a Douglas-Fir-Condensed Tannin
Published in The journal of physical chemistry. B (20-09-2018)“…Douglas-fir forestry residues are a potential feedstock for saccharification-based biofuels, and condensed tannins are expected to make up ∼3% of the dry mass…”
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Determining dominant driving forces affecting controlled protein release from polymeric nanoparticles
Published in Biointerphases (01-06-2017)“…Enzymes play a critical role in many applications in biology and medicine as potential therapeutics. One specific area of interest is enzyme encapsulation in…”
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An in Silico Investigation into Polyester Adsorption onto Alumina toward an Improved Understanding of Hydrogenolysis Catalysts
Published in Langmuir (20-11-2024)“…Chemical recycling of end-of-life plastic wastes through hydrogenolysis is a promising pathway for achieving a circular plastics economy and reducing overall…”
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Multiscale affinity maturation simulations to elicit broadly neutralizing antibodies against HIV
Published in PLoS computational biology (01-04-2022)“…The design of vaccines against highly mutable pathogens, such as HIV and influenza, requires a detailed understanding of how the adaptive immune system…”
Get full text
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Elucidating the role of carrier proteins in cytokine stabilization within double emulsion‐based polymeric nanoparticles
Published in Bioengineering & translational medicine (05-09-2024)“…Polymeric micro‐ and nanoparticles are useful vehicles for delivering cytokines to diseased tissues such as solid tumors. Double emulsion solvent evaporation…”
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Assessing cathode–electrolyte interphases in batteries
Published in Nature energy (07-10-2024)Get full text
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Development and Use of Molecular Simulation Tools to Study the Structure and Function of Biomolecules at Interfaces
Published 2017“…Predicting and controlling the biophysical chemistry of protein/host interactions remains a pressing challenge of high fundamental interest across many…”
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Dissertation