Hasil Pencarian - Rebecca C. Wade

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  1. 1
    Machine Learning Analysis of τRAMD Trajectories to Decipher Molecular Determinants of Drug-Target Residence Times

    Machine Learning Analysis of τRAMD Trajectories to Decipher Molecular Determinants of Drug-Target Residence Times oleh Daria B. Kokh, Tom Kaufmann, Tom Kaufmann, Bastian Kister, Bastian Kister, Rebecca C. Wade, Rebecca C. Wade, Rebecca C. Wade, Rebecca C. Wade

    Diterbitkan 2019-05-01
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  2. 2
    RASPD+: Fast Protein-Ligand Binding Free Energy Prediction Using Simplified Physicochemical Features

    RASPD+: Fast Protein-Ligand Binding Free Energy Prediction Using Simplified Physicochemical Features oleh Stefan Holderbach, Stefan Holderbach, Lukas Adam, Lukas Adam, B. Jayaram, Rebecca C. Wade, Rebecca C. Wade, Rebecca C. Wade, Goutam Mukherjee, Goutam Mukherjee

    Diterbitkan 2020-12-01
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  3. 3
    On calculation of the electrostatic potential of a phosphatidylinositol phosphate-containing phosphatidylcholine lipid membrane accounting for membrane dynamics.

    On calculation of the electrostatic potential of a phosphatidylinositol phosphate-containing phosphatidylcholine lipid membrane accounting for membrane dynamics. oleh Jonathan C Fuller, Michael Martinez, Rebecca C Wade

    Diterbitkan 2014-01-01
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  4. 4
    An electron transfer competent structural ensemble of membrane-bound cytochrome P450 1A1 and cytochrome P450 oxidoreductase

    An electron transfer competent structural ensemble of membrane-bound cytochrome P450 1A1 and cytochrome P450 oxidoreductase oleh Goutam Mukherjee, Prajwal P. Nandekar, Rebecca C. Wade

    Diterbitkan 2021-01-01
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  5. 5
    Molecular Modeling in Drug Design

    Molecular Modeling in Drug Design oleh Rebecca C. Wade, Outi M. H. Salo-Ahen

    Diterbitkan 2019-01-01
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  6. 6
    Ligand unbinding mechanisms and kinetics for T4 lysozyme mutants from τRAMD simulations

    Ligand unbinding mechanisms and kinetics for T4 lysozyme mutants from τRAMD simulations oleh Ariane Nunes-Alves, Daria B. Kokh, Rebecca C. Wade

    Diterbitkan 2021-01-01
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  7. 7
    Diffusion of small molecule drugs is affected by surface interactions and crowder proteins

    Diffusion of small molecule drugs is affected by surface interactions and crowder proteins oleh Debabrata Dey, Ariane Nunes-Alves, Rebecca C. Wade, Gideon Schreiber

    Diterbitkan 2022-10-01
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  8. 8
    The Non-phosphorylating Glyceraldehyde-3-Phosphate Dehydrogenase GapN Is a Potential New Drug Target in Streptococcus pyogenes

    The Non-phosphorylating Glyceraldehyde-3-Phosphate Dehydrogenase GapN Is a Potential New Drug Target in Streptococcus pyogenes oleh Philip Eisenberg, Leon Albert, Jonathan Teuffel, Eric Zitzow, Claudia Michaelis, Jane Jarick, Clemens Sehlke, Lisa Große, Nicole Bader, Ariane Nunes-Alves, Ariane Nunes-Alves, Bernd Kreikemeyer, Hermann Schindelin, Rebecca C. Wade, Rebecca C. Wade, Rebecca C. Wade, Tomas Fiedler

    Diterbitkan 2022-02-01
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  9. 9
    Structure and dynamics of the membrane-bound cytochrome P450 2C9.

    Structure and dynamics of the membrane-bound cytochrome P450 2C9. oleh Vlad Cojocaru, Kia Balali-Mood, Mark S P Sansom, Rebecca C Wade

    Diterbitkan 2011-08-01
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  10. 10
    Differing Membrane Interactions of Two Highly Similar Drug-Metabolizing Cytochrome P450 Isoforms: CYP 2C9 and CYP 2C19

    Differing Membrane Interactions of Two Highly Similar Drug-Metabolizing Cytochrome P450 Isoforms: CYP 2C9 and CYP 2C19 oleh Ghulam Mustafa, Prajwal P. Nandekar, Neil J. Bruce, Rebecca C. Wade

    Diterbitkan 2019-09-01
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  11. 11
    A Bittersweet Computational Journey among Glycosaminoglycans

    A Bittersweet Computational Journey among Glycosaminoglycans oleh Giulia Paiardi, Maria Milanesi, Rebecca C. Wade, Pasqualina D’Ursi, Marco Rusnati

    Diterbitkan 2021-05-01
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  12. 12
    Computational screening of the effects of mutations on protein-protein off-rates and dissociation mechanisms by τRAMD

    Computational screening of the effects of mutations on protein-protein off-rates and dissociation mechanisms by τRAMD oleh Giulia D’Arrigo, Daria B. Kokh, Ariane Nunes-Alves, Rebecca C. Wade

    Diterbitkan 2024-09-01
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  13. 13
    The interaction properties of the human Rab GTPase family--comparative analysis reveals determinants of molecular binding selectivity.

    The interaction properties of the human Rab GTPase family--comparative analysis reveals determinants of molecular binding selectivity. oleh Matthias Stein, Manohar Pilli, Sabine Bernauer, Bianca H Habermann, Marino Zerial, Rebecca C Wade

    Diterbitkan 2012-01-01
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  14. 14
    Organism-adapted specificity of the allosteric regulation of pyruvate kinase in lactic acid bacteria.

    Organism-adapted specificity of the allosteric regulation of pyruvate kinase in lactic acid bacteria. oleh Nadine Veith, Anna Feldman-Salit, Vlad Cojocaru, Stefan Henrich, Ursula Kummer, Rebecca C Wade

    Diterbitkan 2013-01-01
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  15. 15
    Human DPP III – Keap1 Interactions: A Combined Experimental And Computational study

    Human DPP III – Keap1 Interactions: A Combined Experimental And Computational study oleh Mario Gundić, Antonija Tomić, Rebecca C. Wade, Mihaela Matovina, Zrinka Karačić, Saša Kazazić, Sanja Tomić

    Diterbitkan 2016-06-01
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  16. 16
    MatchTope: A tool to predict the cross reactivity of peptides complexed with Major Histocompatibility Complex I

    MatchTope: A tool to predict the cross reactivity of peptides complexed with Major Histocompatibility Complex I oleh Marcus Fabiano de Almeida Mendes, Marcelo de Souza Bragatte, Priscila Vianna, Martiela Vaz de Freitas, Ina Pöhner, Stefan Richter, Rebecca C. Wade, Rebecca C. Wade, Francisco Mauro Salzano, Gustavo Fioravanti Vieira, Gustavo Fioravanti Vieira

    Diterbitkan 2022-10-01
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  17. 17
    PfCRT mutations conferring piperaquine resistance in falciparum malaria shape the kinetics of quinoline drug binding and transport.

    PfCRT mutations conferring piperaquine resistance in falciparum malaria shape the kinetics of quinoline drug binding and transport. oleh Guillermo M Gomez, Giulia D'Arrigo, Cecilia P Sanchez, Fiona Berger, Rebecca C Wade, Michael Lanzer

    Diterbitkan 2023-06-01
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  18. 18
    Comparative analysis of drug-salt-polymer interactions by experiment and molecular simulation improves biopharmaceutical performance

    Comparative analysis of drug-salt-polymer interactions by experiment and molecular simulation improves biopharmaceutical performance oleh Sumit Mukesh, Goutam Mukherjee, Ridhima Singh, Nathan Steenbuck, Carolina Demidova, Prachi Joshi, Abhay T. Sangamwar, Rebecca C. Wade

    Diterbitkan 2023-09-01
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  19. 19
    Impact of carbonylation on glutathione peroxidase-1 activity in human hyperglycemic endothelial cells

    Impact of carbonylation on glutathione peroxidase-1 activity in human hyperglycemic endothelial cells oleh Cheryl S. Sultan, Andrea Saackel, Antonia Stank, Thomas Fleming, Maria Fedorova, Ralf Hoffmann, Rebecca C. Wade, Markus Hecker, Andreas H. Wagner

    Diterbitkan 2018-06-01
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  20. 20
    Evolution of an intricate J-protein network driving protein disaggregation in eukaryotes

    Evolution of an intricate J-protein network driving protein disaggregation in eukaryotes oleh Nadinath B Nillegoda, Antonia Stank, Duccio Malinverni, Niels Alberts, Anna Szlachcic, Alessandro Barducci, Paolo De Los Rios, Rebecca C Wade, Bernd Bukau

    Diterbitkan 2017-05-01
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