Search Results - Swift, Robert V

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  1. 1
    Discovery and design of DNA and RNA ligase inhibitors in infectious microorganisms

    Discovery and design of DNA and RNA ligase inhibitors in infectious microorganisms by Swift, Robert V., Amaro, Rommie E.

    Published 2009
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  2. 2
    Modeling the pharmacodynamics of passive membrane permeability

    Modeling the pharmacodynamics of passive membrane permeability by Swift, Robert V., Amaro, Rommie E.

    Published 2011
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  3. 3
    Back to the Future: Can physical models of passive membrane permeability help reduce drug candidate attrition and move us beyond QSPR?

    Back to the Future: Can physical models of passive membrane permeability help reduce drug candidate attrition and move us beyond QSPR? by Swift, Robert V., Amaro, Rommie E.

    Published 2013
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  4. 4
    Substrate Induced Population Shifts and Stochastic Gating in the PBCV-1 mRNA Capping Enzyme

    Substrate Induced Population Shifts and Stochastic Gating in the PBCV-1 mRNA Capping Enzyme by Swift, Robert V., McCammon, J. Andrew

    Published 2009
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  5. 5
    Magnesium Induced Nucleophile Activation in the Guanylyltransferase mRNA Capping Enzyme

    Magnesium Induced Nucleophile Activation in the Guanylyltransferase mRNA Capping Enzyme by Swift, Robert V., Ong, Chau D., Amaro, Rommie E.

    Published 2012
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  6. 6
    Rational Prediction with Molecular Dynamics for Hit Identification

    Rational Prediction with Molecular Dynamics for Hit Identification by Nichols, Sara E, Swift, Robert V, Amaro, Rommie E

    Published 2012
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  7. 7
    Enhancing Virtual Screening Performance of Protein Kinases with Molecular Dynamics Simulations

    Enhancing Virtual Screening Performance of Protein Kinases with Molecular Dynamics Simulations by Offutt, Tavina L., Swift, Robert V., Amaro, Rommie E.

    Published 2016
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  8. 8
    Functional and Structural Insights Revealed by Molecular Dynamics Simulations of an Essential RNA Editing Ligase in Trypanosoma brucei

    Functional and Structural Insights Revealed by Molecular Dynamics Simulations of an Essential RNA Editing Ligase in Trypanosoma brucei by Amaro, Rommie E., Swift, Robert V., McCammon, J. Andrew

    Published 2007
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  9. 9
    Toward Understanding the Conformational Dynamics of RNA Ligation

    Toward Understanding the Conformational Dynamics of RNA Ligation by Swift, Robert V., Durrant, Jacob, Amaro, Rommie E., McCammon, J. Andrew

    Published 2009
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  10. 10
    Variable ligand- and receptor-binding hot spots in key strains of influenza neuraminidase

    Variable ligand- and receptor-binding hot spots in key strains of influenza neuraminidase by Votapka, Lane, Demir, Özlem, Swift, Robert V, Walker, Ross C, Amaro, Rommie E

    Published 2012
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  11. 11
    Knowledge-Based Methods To Train and Optimize Virtual Screening Ensembles

    Knowledge-Based Methods To Train and Optimize Virtual Screening Ensembles by Swift, Robert V., Jusoh, Siti A., Offutt, Tavina L., Li, Eric S., Amaro, Rommie E.

    Published 2016
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  12. 12
    Novel Naphthalene-Based Inhibitors of Trypanosoma brucei RNA Editing Ligase 1

    Novel Naphthalene-Based Inhibitors of Trypanosoma brucei RNA Editing Ligase 1 by Durrant, Jacob D., Hall, Laurence, Swift, Robert V., Landon, Melissa, Schnaufer, Achim, Amaro, Rommie E.

    Published 2010
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  13. 13
    Computation-Guided Discovery of Influenza Endonuclease Inhibitors

    Computation-Guided Discovery of Influenza Endonuclease Inhibitors by Chen, Eric, Swift, Robert V., Alderson, Nazilla, Feher, Victoria A., Feng, Gen-Sheng, Amaro, Rommie E.

    Published 2013
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  14. 14
    Mechanism of 150-cavity formation in influenza neuraminidase

    Mechanism of 150-cavity formation in influenza neuraminidase by Amaro, Rommie E., Swift, Robert V., Votapka, Lane, Li, Wilfred W., Walker, Ross C., Bush, Robin M.

    Published 2011
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  15. 15
    Biochemical, Structural and Molecular Dynamics Analyses of the Potential Virulence Factor RipA from Yersinia pestis

    Biochemical, Structural and Molecular Dynamics Analyses of the Potential Virulence Factor RipA from Yersinia pestis by Torres, Rodrigo, Swift, Robert V., Chim, Nicholas, Wheatley, Nicole, Lan, Benson, Atwood, Brian R., Pujol, Céline, Sankaran, Banu, Bliska, James B., Amaro, Rommie E., Goulding, Celia W.

    Published 2011
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  16. 16
    Continuous Evaluation of Ligand Protein Predictions: A Weekly Community Challenge for Drug Docking

    Continuous Evaluation of Ligand Protein Predictions: A Weekly Community Challenge for Drug Docking by Wagner, Jeffrey R., Churas, Christopher P., Liu, Shuai, Swift, Robert V., Chiu, Michael, Shao, Chenghua, Feher, Victoria A., Burley, Stephen K., Gilson, Michael K., Amaro, Rommie E.

    Published 2019
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  17. 17
    Simulation-Based Approaches for Determining Membrane Permeability of Small Compounds

    Simulation-Based Approaches for Determining Membrane Permeability of Small Compounds by Lee, Christopher T., Comer, Jeffrey, Herndon, Conner, Leung, Nelson, Pavlova, Anna, Swift, Robert V., Tung, Chris, Rowley, Christopher N., Amaro, Rommie E., Chipot, Christophe, Wang, Yi, Gumbart, James C.

    Published 2016
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  18. 18
    Progress towards automated Kepler scientific workflows for computer-aided drug discovery and molecular simulations

    Progress towards automated Kepler scientific workflows for computer-aided drug discovery and molecular simulations by Ieong, Pek U., Sørensen, Jesper, Vemu, Prasantha L., Wong, Celia W., Demir, Özlem, Williams, Nadya P., Wang, Jianwu, Crawl, Daniel, Swift, Robert V., Malmstrom, Robert D., Altintas, Ilkay, Amaro, Rommie E.

    Published 2014
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