Hasil Pencarian - Jeremy C Smith

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  1. 1
    TCR-H: explainable machine learning prediction of T-cell receptor epitope binding on unseen datasets

    TCR-H: explainable machine learning prediction of T-cell receptor epitope binding on unseen datasets oleh Rajitha Rajeshwar T., Rajitha Rajeshwar T., Rajitha Rajeshwar T., Omar N. A. Demerdash, Omar N. A. Demerdash, Jeremy C. Smith, Jeremy C. Smith, Jeremy C. Smith

    Diterbitkan 2024-08-01
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  2. 2
    Structured pathway across the transition state for peptide folding revealed by molecular dynamics simulations.

    Structured pathway across the transition state for peptide folding revealed by molecular dynamics simulations. oleh Lipi Thukral, Isabella Daidone, Jeremy C Smith

    Diterbitkan 2011-09-01
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  3. 3
    Catalytic mechanism of cellulose degradation by a cellobiohydrolase, CelS.

    Catalytic mechanism of cellulose degradation by a cellobiohydrolase, CelS. oleh Moumita Saharay, Hong Guo, Jeremy C Smith

    Diterbitkan 2010-10-01
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  4. 4
    Quantum Mechanical/Molecular Mechanical Analysis of the Catalytic Mechanism of Phosphoserine Phosphatase

    Quantum Mechanical/Molecular Mechanical Analysis of the Catalytic Mechanism of Phosphoserine Phosphatase oleh Dieter Krachtus, Jeremy C. Smith, Petra Imhof

    Diterbitkan 2018-12-01
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  5. 5
    Full structural ensembles of intrinsically disordered proteins from unbiased molecular dynamics simulations

    Full structural ensembles of intrinsically disordered proteins from unbiased molecular dynamics simulations oleh Utsab R. Shrestha, Jeremy C. Smith, Loukas Petridis

    Diterbitkan 2021-02-01
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  6. 6
    Community detection in sequence similarity networks based on attribute clustering.

    Community detection in sequence similarity networks based on attribute clustering. oleh Janamejaya Chowdhary, Frank E Löffler, Jeremy C Smith

    Diterbitkan 2017-01-01
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  7. 7
    HLA-Clus: HLA class I clustering based on 3D structure

    HLA-Clus: HLA class I clustering based on 3D structure oleh Yue Shen, Jerry M. Parks, Jeremy C. Smith

    Diterbitkan 2023-05-01
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  8. 8
    Role of histone tails in structural stability of the nucleosome.

    Role of histone tails in structural stability of the nucleosome. oleh Mithun Biswas, Karine Voltz, Jeremy C Smith, Jörg Langowski

    Diterbitkan 2011-12-01
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  9. 9
    Hydrogen-bond driven loop-closure kinetics in unfolded polypeptide chains.

    Hydrogen-bond driven loop-closure kinetics in unfolded polypeptide chains. oleh Isabella Daidone, Hannes Neuweiler, Sören Doose, Markus Sauer, Jeremy C Smith

    Diterbitkan 2010-01-01
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  10. 10
    Using Small-Angle Scattering Data and Parametric Machine Learning to Optimize Force Field Parameters for Intrinsically Disordered Proteins

    Using Small-Angle Scattering Data and Parametric Machine Learning to Optimize Force Field Parameters for Intrinsically Disordered Proteins oleh Omar Demerdash, Omar Demerdash, Utsab R. Shrestha, Utsab R. Shrestha, Loukas Petridis, Loukas Petridis, Jeremy C. Smith, Jeremy C. Smith, Julie C. Mitchell, Julie C. Mitchell, Arvind Ramanathan, Arvind Ramanathan

    Diterbitkan 2019-08-01
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  11. 11
    Neutron structure of human carbonic anhydrase II in complex with methazolamide: mapping the solvent and hydrogen-bonding patterns of an effective clinical drug

    Neutron structure of human carbonic anhydrase II in complex with methazolamide: mapping the solvent and hydrogen-bonding patterns of an effective clinical drug oleh Mayank Aggarwal, Andrey Y. Kovalevsky, Hector Velazquez, S. Zoë Fisher, Jeremy C. Smith, Robert McKenna

    Diterbitkan 2016-09-01
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  12. 12
    Osteocalcin binds to a GPRC6A Venus fly trap allosteric site to positively modulate GPRC6A signaling

    Osteocalcin binds to a GPRC6A Venus fly trap allosteric site to positively modulate GPRC6A signaling oleh Rupesh Agarwal, Ruisong Ye, Micholas Dean Smith, Jeremy C. Smith, L. Darryl Quarles, Min Pi

    Diterbitkan 2024-09-01
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  13. 13
    GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

    GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers oleh Mark James Abraham, Teemu Murtola, Roland Schulz, Szilárd Páll, Jeremy C. Smith, Berk Hess, Erik Lindahl

    Diterbitkan 2015-09-01
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  14. 14
    Structure-Based Identification of Novel Histone Deacetylase 4 (HDAC4) Inhibitors

    Structure-Based Identification of Novel Histone Deacetylase 4 (HDAC4) Inhibitors oleh Rupesh Agarwal, Pawat Pattarawat, Michael R. Duff, Hwa-Chain Robert Wang, Jerome Baudry, Jeremy C. Smith

    Diterbitkan 2024-07-01
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  15. 15
    Physics-Based Machine Learning Models Predict Carbon Dioxide Solubility in Chemically Reactive Deep Eutectic Solvents

    Physics-Based Machine Learning Models Predict Carbon Dioxide Solubility in Chemically Reactive Deep Eutectic Solvents oleh Mood Mohan, Omar N. Demerdash, Blake A. Simmons, Seema Singh, Michelle K. Kidder, Jeremy C. Smith

    Diterbitkan 2024-04-01
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  16. 16
    Genetic interactions between polycystin-1 and Wwtr1 in osteoblasts define a novel mechanosensing mechanism regulating bone formation in mice

    Genetic interactions between polycystin-1 and Wwtr1 in osteoblasts define a novel mechanosensing mechanism regulating bone formation in mice oleh Zhousheng Xiao, Li Cao, Micholas Dean Smith, Hanxuan Li, Wei Li, Jeremy C. Smith, Leigh Darryl Quarles

    Diterbitkan 2023-10-01
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  17. 17
    Computationally identified novel agonists for GPRC6A.

    Computationally identified novel agonists for GPRC6A. oleh Min Pi, Karan Kapoor, Ruisong Ye, Dong-Jin Hwang, Duane D Miller, Jeremy C Smith, Jerome Baudry, L Darryl Quarles

    Diterbitkan 2018-01-01
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  18. 18
    SARS-CoV2 billion-compound docking

    SARS-CoV2 billion-compound docking oleh David M. Rogers, Rupesh Agarwal, Josh V. Vermaas, Micholas Dean Smith, Rajitha T. Rajeshwar, Connor Cooper, Ada Sedova, Swen Boehm, Matthew Baker, Jens Glaser, Jeremy C. Smith

    Diterbitkan 2023-03-01
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  19. 19
    Author Correction: Property space mapping of Pseudomonas aeruginosa permeability to small molecules

    Author Correction: Property space mapping of Pseudomonas aeruginosa permeability to small molecules oleh Inga V. Leus, Jon W. Weeks, Vincent Bonifay, Yue Shen, Liang Yang, Connor J. Cooper, Dinesh Nath, Adam S. Duerfeldt, Jeremy C. Smith, Jerry M. Parks, Valentin V. Rybenkov, Helen I. Zgurskaya

    Diterbitkan 2023-06-01
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  20. 20
    Property space mapping of Pseudomonas aeruginosa permeability to small molecules

    Property space mapping of Pseudomonas aeruginosa permeability to small molecules oleh Inga V. Leus, Jon W. Weeks, Vincent Bonifay, Yue Shen, Liang Yang, Connor J. Cooper, Dinesh Nath, Adam S. Duerfeldt, Jeremy C. Smith, Jerry M. Parks, Valentin V. Rybenkov, Helen I. Zgurskaya

    Diterbitkan 2022-05-01
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