Hasil Pencarian - Jacob D Durrant

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  1. 1
    FPocketWeb: protein pocket hunting in a web browser

    FPocketWeb: protein pocket hunting in a web browser oleh Yuri Kochnev, Jacob D. Durrant

    Diterbitkan 2022-08-01
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  2. 2
    Open-Source Browser-Based Tools for Structure-Based Computer-Aided Drug Discovery

    Open-Source Browser-Based Tools for Structure-Based Computer-Aided Drug Discovery oleh Ann Wang, Jacob D. Durrant

    Diterbitkan 2022-07-01
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  3. 3
    LipidWrapper: an algorithm for generating large-scale membrane models of arbitrary geometry.

    LipidWrapper: an algorithm for generating large-scale membrane models of arbitrary geometry. oleh Jacob D Durrant, Rommie E Amaro

    Diterbitkan 2014-07-01
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  4. 4
    AutoGrow4: an open-source genetic algorithm for de novo drug design and lead optimization

    AutoGrow4: an open-source genetic algorithm for de novo drug design and lead optimization oleh Jacob O. Spiegel, Jacob D. Durrant

    Diterbitkan 2020-04-01
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  5. 5
    Scoria: a Python module for manipulating 3D molecular data

    Scoria: a Python module for manipulating 3D molecular data oleh Patrick Ropp, Aaron Friedman, Jacob D. Durrant

    Diterbitkan 2017-09-01
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  6. 6
    AutoClickChem: click chemistry in silico.

    AutoClickChem: click chemistry in silico. oleh Jacob D Durrant, J Andrew McCammon

    Diterbitkan 2012-01-01
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  7. 7
    Teaching old docks new tricks with machine learning enhanced ensemble docking

    Teaching old docks new tricks with machine learning enhanced ensemble docking oleh Roshni Bhatt, Ann Wang, Jacob D. Durrant

    Diterbitkan 2024-09-01
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  8. 8
    From byte to bench to bedside: molecular dynamics simulations and drug discovery

    From byte to bench to bedside: molecular dynamics simulations and drug discovery oleh Mayar Ahmed, Alex M. Maldonado, Jacob D. Durrant

    Diterbitkan 2023-12-01
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  9. 9
    LigGrep: a tool for filtering docked poses to improve virtual-screening hit rates

    LigGrep: a tool for filtering docked poses to improve virtual-screening hit rates oleh Emily J. Ha, Cara T. Lwin, Jacob D. Durrant

    Diterbitkan 2020-11-01
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  10. 10
    Dimorphite-DL: an open-source program for enumerating the ionization states of drug-like small molecules

    Dimorphite-DL: an open-source program for enumerating the ionization states of drug-like small molecules oleh Patrick J. Ropp, Jesse C. Kaminsky, Sara Yablonski, Jacob D. Durrant

    Diterbitkan 2019-02-01
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  11. 11
    Computational identification of uncharacterized cruzain binding sites.

    Computational identification of uncharacterized cruzain binding sites. oleh Jacob D Durrant, Henrik Keränen, Benjamin A Wilson, J Andrew McCammon

    Diterbitkan 2010-05-01
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  12. 12
    ProteinVR: Web-based molecular visualization in virtual reality.

    ProteinVR: Web-based molecular visualization in virtual reality. oleh Kevin C Cassidy, Jan Šefčík, Yogindra Raghav, Alexander Chang, Jacob D Durrant

    Diterbitkan 2020-03-01
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  13. 13
    MutantHuntWGS: A Pipeline for Identifying Saccharomyces cerevisiae Mutations

    MutantHuntWGS: A Pipeline for Identifying Saccharomyces cerevisiae Mutations oleh Mitchell A. Ellison, Jennifer L. Walker, Patrick J. Ropp, Jacob D. Durrant, Karen M. Arndt

    Diterbitkan 2020-09-01
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  14. 14
    Novel naphthalene-based inhibitors of Trypanosoma brucei RNA editing ligase 1.

    Novel naphthalene-based inhibitors of Trypanosoma brucei RNA editing ligase 1. oleh Jacob D Durrant, Laurence Hall, Robert V Swift, Melissa Landon, Achim Schnaufer, Rommie E Amaro

    Diterbitkan 2010-08-01
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  15. 15
    Mesoscale All-Atom Influenza Virus Simulations Suggest New Substrate Binding Mechanism

    Mesoscale All-Atom Influenza Virus Simulations Suggest New Substrate Binding Mechanism oleh Jacob D. Durrant, Sarah E. Kochanek, Lorenzo Casalino, Pek U. Ieong, Abigail C. Dommer, Rommie E. Amaro

    Diterbitkan 2020-02-01
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  16. 16
    Novel mutation in hexokinase 2 confers resistance to 2-deoxyglucose by altering protein dynamics.

    Novel mutation in hexokinase 2 confers resistance to 2-deoxyglucose by altering protein dynamics. oleh Erich Hellemann, Jennifer L Walker, Mitchell A Lesko, Dakshayini G Chandrashekarappa, Martin C Schmidt, Allyson F O'Donnell, Jacob D Durrant

    Diterbitkan 2022-03-01
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  17. 17
    A Computational Assay that Explores the Hemagglutinin/Neuraminidase Functional Balance Reveals the Neuraminidase Secondary Site as a Novel Anti-Influenza Target

    A Computational Assay that Explores the Hemagglutinin/Neuraminidase Functional Balance Reveals the Neuraminidase Secondary Site as a Novel Anti-Influenza Target oleh Rommie E. Amaro, Pek U Ieong, Gary Huber, Abigail Dommer, Alasdair C. Steven, Robin M. Bush, Jacob D. Durrant, Lane W. Votapka

    Diterbitkan 2018-11-01
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  18. 18
    Gypsum-DL: an open-source program for preparing small-molecule libraries for structure-based virtual screening

    Gypsum-DL: an open-source program for preparing small-molecule libraries for structure-based virtual screening oleh Patrick J. Ropp, Jacob O. Spiegel, Jennifer L. Walker, Harrison Green, Guillermo A. Morales, Katherine A. Milliken, John J. Ringe, Jacob D. Durrant

    Diterbitkan 2019-05-01
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  19. 19
    The chaperone PrsA2 regulates the secretion, stability, and folding of listeriolysin O during Listeria monocytogenes infection

    The chaperone PrsA2 regulates the secretion, stability, and folding of listeriolysin O during Listeria monocytogenes infection oleh Charles Agbavor, Adriana Zimnicka, Allison Kumar, Jada L. George, Madeline Torres, Gerd Prehna, Francis Alonzo, Jacob D. Durrant, Nancy E. Freitag, Laty A. Cahoon

    Diterbitkan 2024-07-01
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  20. 20
    Genome mining yields putative disease-associated ROMK variants with distinct defects.

    Genome mining yields putative disease-associated ROMK variants with distinct defects. oleh Nga H Nguyen, Srikant Sarangi, Erin M McChesney, Shaohu Sheng, Jacob D Durrant, Aidan W Porter, Thomas R Kleyman, Zachary W Pitluk, Jeffrey L Brodsky

    Diterbitkan 2023-11-01
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