Search Results - "Gosink, Luke"

Bayesian Model Averaging for Ensemble-Based Estimates of Solvation-Free Energies by Gosink, Luke J, Overall, Christopher C, Reehl, Sarah M, Whitney, Paul D, Mobley, David L, Baker, Nathan A

“…This paper applies the Bayesian Model Averaging statistical ensemble technique to estimate small molecule solvation free energies. There is a wide range of…”
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Bayesian model aggregation for ensemble-based estimates of protein pKa values by Gosink, Luke J., Hogan, Emilie A., Pulsipher, Trenton C., Baker, Nathan A.

“…ABSTRACT This article investigates an ensemble‐based technique called Bayesian Model Averaging (BMA) to improve the performance of protein amino acid pKa…”
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Characterizing and Visualizing Predictive Uncertainty in Numerical Ensembles Through Bayesian Model Averaging by Gosink, Luke, Bensema, Kevin, Pulsipher, Trenton, Obermaier, Harald, Henry, Michael, Childs, Hank, Joy, Kenneth I.

“…Numerical ensemble forecasting is a powerful tool that drives many risk analysis efforts and decision making tasks. These ensembles are composed of individual…”
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An Application of Multivariate Statistical Analysis for Query-Driven Visualization by Gosink, L J, Garth, C, Anderson, J C, Bethel, E W, Joy, K I

“…Driven by the ability to generate ever-larger, increasingly complex data, there is an urgent need in the scientific community for scalable analysis methods…”
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A high-performance workflow system for subsurface simulation by Freedman, Vicky L., Chen, Xingyuan, Finsterle, Stefan, Freshley, Mark D., Gorton, Ian, Gosink, Luke J., Keating, Elizabeth H., Lansing, Carina S., Moeglein, William A.M., Murray, Christopher J., Pau, George S.H., Porter, Ellen, Purohit, Sumit, Rockhold, Mark, Schuchardt, Karen L., Sivaramakrishnan, Chandrika, Vessilinov, Velimir V., Waichler, Scott R.

“…The U.S. Department of Energy (DOE) recently invested in developing a numerical modeling toolset called ASCEM (Advanced Simulation Capability for Environmental…”
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Variable Interactions in Query-Driven Visualization by Gosink, Luke, Anderson, John, Bethel, Wes, Joy, Kenneth

“…Our ability to generate ever-larger, increasingly-complex data, has established the need for scalable methods that identify, and provide insight into,…”
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Prediction of multi-drug resistance transporters using a novel sequence analysis method by McDermott, Jason E., Bruillard, Paul, Overall, Christopher C., Gosink, Luke, Lindemann, Stephen R.

“…There are many examples of groups of proteins that have similar function, but the determinants of functional specificity may be hidden by lack of sequence…”
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Query-Driven Visualization of Time-Varying Adaptive Mesh Refinement Data by Gosink, L.J., Anderson, J.C., Bethel, E.W., Joy, K.I.

“…The visualization and analysis of AMR-based simulations is integral to the process of obtaining new insight in scientific research. We present a new method for…”
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Interactive Visualization of Function Fields by Range-Space Segmentation by Anderson, John C., Gosink, Luke J., Duchaineau, Mark A., Joy, Kenneth I.

“…We present a dimension reduction and feature extraction method for the visualization and analysis of function field data. Function fields are a class of…”
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An ensemble approach for forecasting net interchange schedule by Vlachopoulou, Maria, Gosink, Luke, Pulsipher, Trenton C., Ferryman, Tom, Ning Zhou, Jianzhong Tong

“…The net interchange schedule (NIS) is the sum of the transactions (MW) between an Independent System Operator/Regional Transmission Organization (ISO/RTO) and…”
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Modality-Driven Classification and Visualization of Ensemble Variance by Bensema, Kevin, Gosink, Luke, Obermaier, Harald, Joy, Kenneth I.

“…Advances in computational power now enable domain scientists to address conceptual and parametric uncertainty by running simulations multiple times in order to…”
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Synthesis of a statistically exhaustive fluorescent peptide substrate library for profiling protease specificity by Sheppeck II, James E, Kar, Heidi, Gosink, Luke, Wheatley, Jeffrey B, Gjerstad, Erik, Loftus, Siobhan M, Zubiria, Alexi R, Janc, James W

“…A statistically exhaustive, 8800 compound tripeptidal amidomethylcoumarin library was synthesized as discreet compounds using solid-phase combinatorial…”
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Modality-Driven Classification and Visualization of Ensemble Variance by Bensema, Kevin, Gosink, Luke, Obermaier, Harald, Joy, Kenneth I.

“…Paper for the IEEE Visualization Conference Advances in computational power now enable domain scientists to address conceptual and parametric uncertainty by…”
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The search of placental fingerprints in serum samples using raman spectroscopy by Gandhi, Kushal, Chuecos, Marcel, Bramer, Lisa, Gosink, Luke, Schlabritz-Lutsevich, Natalia

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Bayesian model aggregation for ensemble‐based estimates of protein pK a values by Gosink, Luke J., Hogan, Emilie A., Pulsipher, Trenton C., Baker, Nathan A.

“…This article investigates an ensemble‐based technique called Bayesian Model Averaging (BMA) to improve the performance of protein amino acid p K a predictions…”
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Raman spectroscopy as a novel method in placental research: Recognizing the pattern of placental hypoxia by Schlabritz‐Loutsevitch, Natalia, Gandhi, Kushal, Soydemir, Fatimah, Brownbill, Paul, Sengar, Raghvendra, Ventolini, Gary, Bruillard, Paul, Gosink, Luke

“…Raman spectroscopy (RS) is a nonelastic photon scattering technique. We evaluated whether a specific RS pattern exists in fetal venous perfusates obtained at…”
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Meta parallel coordinates for visualizing features in large, high-dimensional, time-varying data by Dasgupta, A., Kosara, R., Gosink, L.

“…Managing computational complexity and designing effective visual representations are two important challenges for the visualization of large, complex,…”
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Informatics Approaches to Data Preservation and Analysis in Protein Electrostatics by Baker, Nathan A., Dowling, Chase, Gosink, Luke, Pulsipher, Trenton, Sansone, Susanna-Assunta

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Bayesian model aggregation for ensemble-based estimates of protein pK sub(a) values by Gosink, Luke J, Hogan, Emilie A, Pulsipher, Trenton C, Baker, Nathan A

“…This article investigates an ensemble-based technique called Bayesian Model Averaging (BMA) to improve the performance of protein amino acid pK sub(a)…”
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Prediction of multi-drug resistance transporters using a novel sequence analysis method by McDermott, Jason E., Bruillard, Paul J., Overall, Christopher C., Gosink, Luke J., Lindemann, Stephen R.

“…There are many examples of groups of proteins that have similar function, but the determinants of functional specificity may be hidden by lack of sequence…”
Get full text