Search Results - "Ragland, Debra A"
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Drug Design Strategies to Avoid Resistance in Direct-Acting Antivirals and Beyond
Published in Chemical reviews (24-03-2021)“…Drug resistance is prevalent across many diseases, rendering therapies ineffective with severe financial and health consequences. Rather than accepting…”
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Characterizing Protein–Ligand Binding Using Atomistic Simulation and Machine Learning: Application to Drug Resistance in HIV‑1 Protease
Published in Journal of chemical theory and computation (11-02-2020)“…Over the past several decades, atomistic simulations of biomolecules, whether carried out using molecular dynamics or Monte Carlo techniques, have provided…”
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Interdependence of Inhibitor Recognition in HIV‑1 Protease
Published in Journal of chemical theory and computation (09-05-2017)“…Molecular recognition is a highly interdependent process. Subsite couplings within the active site of proteases are most often revealed through conditional…”
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Drug Resistance Conferred by Mutations Outside the Active Site through Alterations in the Dynamic and Structural Ensemble of HIV‑1 Protease
Published in Journal of the American Chemical Society (27-08-2014)“…HIV-1 protease inhibitors are part of the highly active antiretroviral therapy effectively used in the treatment of HIV infection and AIDS. Darunavir (DRV) is…”
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Elucidating the Interdependence of Drug Resistance from Combinations of Mutations
Published in Journal of chemical theory and computation (14-11-2017)“…HIV-1 protease is responsible for the cleavage of 12 nonhomologous sites within the Gag and Gag-Pro-Pol polyproteins in the viral genome. Under the selective…”
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Implementing the hidden curriculum for biomedical graduate research trainees: leveraging qualitative data and student affairs personnel to develop soft skills
Published in Frontiers in education (Lausanne) (14-11-2024)“…Biomedical graduate research trainees are increasingly pursuing careers beyond academia in response to limited academic positions relative to the trainee…”
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