Showing 1 - 11 results of 11 for search 'Gianni De Fabritiis', query time: 0.04s Refine Results
  1. 1
    mdCATH: A Large-Scale MD Dataset for Data-Driven Computational Biophysics

    mdCATH: A Large-Scale MD Dataset for Data-Driven Computational Biophysics by Antonio Mirarchi, Toni Giorgino, Gianni De Fabritiis

    Published 2024-11-01
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  2. 2
    PromptSMILES: prompting for scaffold decoration and fragment linking in chemical language models

    PromptSMILES: prompting for scaffold decoration and fragment linking in chemical language models by Morgan Thomas, Mazen Ahmad, Gary Tresadern, Gianni de Fabritiis

    Published 2024-07-01
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  3. 3
    Induced effects of sodium ions on dopaminergic G-protein coupled receptors.

    Induced effects of sodium ions on dopaminergic G-protein coupled receptors. by Jana Selent, Ferran Sanz, Manuel Pastor, Gianni De Fabritiis

    Published 2010-01-01
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  4. 4
    Membrane-sensitive conformational states of helix 8 in the metabotropic Glu2 receptor, a class C GPCR.

    Membrane-sensitive conformational states of helix 8 in the metabotropic Glu2 receptor, a class C GPCR. by Agostino Bruno, Gabriele Costantino, Gianni de Fabritiis, Manuel Pastor, Jana Selent

    Published 2012-01-01
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  5. 5
    Correction: Membrane-Sensitive Conformational States of Helix 8 in the Metabotropic Glu2 Receptor, a Class C GPCR.

    Correction: Membrane-Sensitive Conformational States of Helix 8 in the Metabotropic Glu2 Receptor, a Class C GPCR. by Agostino Bruno, Gabriele Costantino, Gianni de Fabritiis, Manuel Pastor, Jana Selent

    Published 2012-01-01
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  6. 6
    Machine learning small molecule properties in drug discovery

    Machine learning small molecule properties in drug discovery by Nikolai Schapin, Maciej Majewski, Alejandro Varela-Rial, Carlos Arroniz, Gianni De Fabritiis

    Published 2023-12-01
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  7. 7
    The Role of Hydrophobic Nodes in the Dynamics of Class A β-Lactamases

    The Role of Hydrophobic Nodes in the Dynamics of Class A β-Lactamases by Edgar Olehnovics, Junqi Yin, Adrià Pérez, Gianni De Fabritiis, Gianni De Fabritiis, Robert A. Bonomo, Robert A. Bonomo, Robert A. Bonomo, Robert A. Bonomo, Robert A. Bonomo, Robert A. Bonomo, Robert A. Bonomo, Debsindhu Bhowmik, Shozeb Haider

    Published 2021-09-01
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  8. 8
    Machine Learning of Coarse-Grained Molecular Dynamics Force Fields

    Machine Learning of Coarse-Grained Molecular Dynamics Force Fields by Jiang Wang, Simon Olsson, Christoph Wehmeyer, Adrià Pérez, Nicholas E. Charron, Gianni de Fabritiis, Frank Noé, Cecilia Clementi

    Published 2019-04-01
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  9. 9
    Machine learning coarse-grained potentials of protein thermodynamics

    Machine learning coarse-grained potentials of protein thermodynamics by Maciej Majewski, Adrià Pérez, Philipp Thölke, Stefan Doerr, Nicholas E. Charron, Toni Giorgino, Brooke E. Husic, Cecilia Clementi, Frank Noé, Gianni De Fabritiis

    Published 2023-09-01
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  10. 10
    SPICE, A Dataset of Drug-like Molecules and Peptides for Training Machine Learning Potentials

    SPICE, A Dataset of Drug-like Molecules and Peptides for Training Machine Learning Potentials by Peter Eastman, Pavan Kumar Behara, David L. Dotson, Raimondas Galvelis, John E. Herr, Josh T. Horton, Yuezhi Mao, John D. Chodera, Benjamin P. Pritchard, Yuanqing Wang, Gianni De Fabritiis, Thomas E. Markland

    Published 2023-01-01
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  11. 11
    PURA syndrome-causing mutations impair PUR-domain integrity and affect P-body association

    PURA syndrome-causing mutations impair PUR-domain integrity and affect P-body association by Marcel Proske, Robert Janowski, Sabrina Bacher, Hyun-Seo Kang, Thomas Monecke, Tony Koehler, Saskia Hutten, Jana Tretter, Anna Crois, Lena Molitor, Alejandro Varela-Rial, Roberto Fino, Elisa Donati, Gianni De Fabritiis, Dorothee Dormann, Michael Sattler, Dierk Niessing

    Published 2024-04-01
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