Search Results - "Watt, Eric D"

Uncertainty quantification in ToxCast high throughput screening by Watt, Eric D, Judson, Richard S

“…High throughput screening (HTS) projects like the U.S. Environmental Protection Agency's ToxCast program are required to address the large and rapidly…”
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Characterization of Enzyme Motions by Solution NMR Relaxation Dispersion by Loria, J. Patrick, Berlow, Rebecca B, Watt, Eric D

“…In many enzymes, conformational changes that occur along the reaction coordinate can pose a bottleneck to the rate of conversion of substrates to products…”
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The Flexibility of a Distant Loop Modulates Active Site Motion and Product Release in Ribonuclease A by Doucet, Nicolas, Watt, Eric D, Loria, J. Patrick

“…The role of the flexible loop 1 in protein conformational motion and in the dissociation of enzymatic product from ribonuclease A (RNase A) was investigated by…”
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mechanism of rate-limiting motions in enzyme function by Watt, Eric D, Shimada, Hiroko, Kovrigin, Evgenii L, Loria, J. Patrick

“…The ability to use conformational flexibility is a hallmark of enzyme function. Here we show that protein motions and catalytic activity in a RNase are coupled…”
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High-Resolution NMR Studies of Human Tissue Factor by Nuzzio, Kristin M, Watt, Eric D, Boettcher, John M, Gajsiewicz, Joshua M, Morrissey, James H, Rienstra, Chad M

“…In normal hemostasis, the blood clotting cascade is initiated when factor VIIa (fVIIa, other clotting factors are named similarly) binds to the integral…”
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Experimental Protein Structure Verification by Scoring with a Single, Unassigned NMR Spectrum by Courtney, Joseph M., Ye, Qing, Nesbitt, Anna E., Tang, Ming, Tuttle, Marcus D., Watt, Eric D., Nuzzio, Kristin M., Sperling, Lindsay J., Comellas, Gemma, Peterson, Joseph R., Morrissey, James H., Rienstra, Chad M.

“…Standard methods for de novo protein structure determination by nuclear magnetic resonance (NMR) require time-consuming data collection and interpretation…”
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Reengineering Rate-Limiting, Millisecond Enzyme Motions by Introduction of an Unnatural Amino Acid by Watt, Eric D., Rivalta, Ivan, Whittier, Sean K., Batista, Victor S., Loria, J. Patrick

“…Rate-limiting millisecond motions in wild-type (WT) Ribonuclease A (RNase A) are modulated by histidine 48. Here, we incorporate an unnatural amino acid,…”
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Development and Validation of a Computational Model for Androgen Receptor Activity by Kleinstreuer, Nicole C, Ceger, Patricia, Watt, Eric D, Martin, Matthew, Houck, Keith, Browne, Patience, Thomas, Russell S, Casey, Warren M, Dix, David J, Allen, David, Sakamuru, Srilatha, Xia, Menghang, Huang, Ruili, Judson, Richard

“…Testing thousands of chemicals to identify potential androgen receptor (AR) agonists or antagonists would cost millions of dollars and take decades to complete…”
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Tiered High-Throughput Screening Approach to Identify Thyroperoxidase Inhibitors Within the ToxCast Phase I and II Chemical Libraries by Paul Friedman, Katie, Watt, Eric D, Hornung, Michael W, Hedge, Joan M, Judson, Richard S, Crofton, Kevin M, Houck, Keith A, Simmons, Steven O

“…High-throughput screening for potential thyroid-disrupting chemicals requires a system of assays to capture multiple molecular-initiating events (MIEs) that…”
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Early Drug-Induced Liver Injury Risk Screening: “Free,” as Good as It Gets by Martin, Matthew T, Koza-Taylor, Petra, Di, Li, Watt, Eric D, Keefer, Christopher, Smaltz, Daniel, Cook, Jon, Jackson, Jonathan P

“…Abstract For all the promise of and need for clinical drug-induced liver injury (DILI) risk screening systems, demonstrating the predictive value of these…”
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Characterization of a high throughput human stem cell cardiomyocyte assay to predict drug-induced changes in clinical electrocardiogram parameters by Kilfoil, Peter, Feng, Shuyun Lily, Bassyouni, Asser, Lee, Tiffany, Leishman, Derek, Li, Dingzhou, MacEwan, David J., Sharma, Parveen, Watt, Eric D., Jenkinson, Stephen

“…Human induced pluripotent stem cell derived cardiomyocytes (hIPSC-CM's) play an increasingly important role in the safety profiling of candidate drugs. For…”
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A Kinetic Model for Assessing Potential Nitrosamine Carcinogenicity by Yu, Shu, McWilliams, J. Christopher, Dirat, Olivier, Dobo, Krista L., Kalgutkar, Amit S., Kenyon, Michelle O., Martin, Matthew T., Watt, Eric D., Schuler, Maik

“…Understanding the potential carcinogenic potency of nitrosamines is necessary to setting acceptable intake limits. Nitrosamines and the components that can…”
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Recent Advances in Solid-State Nuclear Magnetic Resonance Techniques to Quantify Biomolecular Dynamics by Watt, Eric D, Rienstra, Chad M

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Use of high throughput ion channel profiling and statistical modeling to predict off-target arrhythmia risk - One pharma's experience and perspective by Watt, Eric D., Lee, Tiffany, Feng, Shuyun Lily, Kilfoil, Peter, Ackley, David, Keefer, Christopher, Wisialowski, Todd, Jenkinson, Stephen

“…The use of high throughput patch clamp profiling to determine mixed ion channel-mediated arrhythmia risk was assessed using profiling data generated using…”
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On selecting a minimal set of in vitro assays to reliably determine estrogen agonist activity by Judson, Richard S., Houck, Keith A., Watt, Eric D., Thomas, Russell S.

“…The US EPA is charged with screening chemicals for their ability to be endocrine disruptors through interaction with the estrogen, androgen and thyroid axes…”
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Resolving the Motional Modes That Code for RNA Adaptation by Zhang, Qi, Sun, Xiaoyan, Watt, Eric D, Al-Hashimi, Hashim M

“…Using a domain elongation strategy, we decoupled internal motions in RNA from overall rotational diffusion. This allowed us to site-specifically resolve a…”
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Hydrogen exchange of monomeric α‐synuclein shows unfolded structure persists at physiological temperature and is independent of molecular crowding in Escherichia coli by Croke, Robyn L., Sallum, Christine O., Watson, Emma, Watt, Eric D., Alexandrescu, Andrei T.

“…Amide proton NMR signals from the N‐terminal domain of monomeric α‐synuclein (αS) are lost when the sample temperature is raised from 10°C to 35°C at pH 7.4…”
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Characterizing Complex Dynamics in the Transactivation Response Element Apical Loop and Motional Correlations with the Bulge by NMR, Molecular Dynamics, and Mutagenesis by Dethoff, Elizabeth A., Hansen, Alexandar L., Musselman, Catherine, Watt, Eric D., Andricioaei, Ioan, Al-Hashimi, Hashim M.

“…The HIV-1 transactivation response element (TAR) RNA binds a variety of proteins and is a target for developing anti-HIV therapies. TAR has two primary binding…”
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CardioGenAI: A Machine Learning-Based Framework for Re-Engineering Drugs for Reduced hERG Liability by Kyro, Gregory W, Martin, Matthew T, Watt, Eric D, Batista, Victor S

“…The link between in vitro hERG ion channel inhibition and subsequent in vivo QT interval prolongation, a critical risk factor for the development of arrythmias…”
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