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36 ta ish

Ish: Investigation of Structural Mechanisms Underlying p53 Dysfunction Caused by 148 Missense Mutations Using AlphaFold3 and Molecular Dynamics Simulations

  1. GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

    M Abraham, Teemu J. Murtola, Roland Schulz +4

    Maqola201530 iqtibos
    ABI

  2. Polymorphic transitions in single crystals: A new molecular dynamics method

    Michele Parrinello, A. Rahman

    Maqola198127 iqtibos
    ABI

  3. SciPy 1.0: fundamental algorithms for scientific computing in Python

    Pauli Virtanen, Ralf Gommers, Travis E. Oliphant +97

    Maqola202026 iqtibos
    ABI

  4. Particle mesh Ewald: An <i>N</i>⋅log(<i>N</i>) method for Ewald sums in large systems

    Tom Darden, Darrin M. York, Lee G. Pedersen

    Maqola199316 iqtibos
    ABI

  5. Highly accurate protein structure prediction with AlphaFold

    John Jumper, Richard Evans, Alexander Pritzel +31

    Maqola202110 iqtibos
    ABI

  6. Canonical dynamics: Equilibrium phase-space distributions

    William G. Hoover

    Maqola19858 iqtibos
    ABI

  7. Accurate structure prediction of biomolecular interactions with AlphaFold 3

    Josh Abramson, Jonas Adler, Jack Dunger +45

    Maqola20245 iqtibos
    ABI

  8. Inorganic polyphosphate regulates functions of thymocytes via activation of P2X purinoreceptors

    Kamila S. Nebesnaya, Albert R. Makhmudov, Khondamir R Rustamov +6

    MaqolaAdenosine and Purinergic SignalingBiochimica et Biophysica Acta (BBA) - General Subjects20234 iqtibos
    ABI

  9. Bias-force guided simulations combined with experimental validations towards GPR17 modulators identification

    Sana Kari, Akshaya Murugesan, Ramesh Thiyagarajan +5

    MaqolaReceptor Mechanisms and SignalingBiomedicine & Pharmacotherapy20233 iqtibos
    ABI

  10. MDAnalysis: A toolkit for the analysis of molecular dynamics simulations

    Naveen Michaud‐Agrawal, Elizabeth J. Denning, Thomas B. Woolf +1

    Maqola20113 iqtibos
    ABI

  11. MSA clustering enhances AF-Multimer’s ability to predict conformational landscapes of protein–protein interactions

    Khondamir R Rustamov, Artyom Y. Baev

    MaqolaChemokine receptors and signalingBioinformatics Advances20242 iqtibos
    ABI

  12. Assessing the Stability of Alzheimer’s Amyloid Protofibrils Using Molecular Dynamics

    Justin A. Lemkul, David R. Bevan

    Maqola20102 iqtibos
    ABI

  13. Protein complex prediction with AlphaFold-Multimer

    Richard Evans, M. E. O’Neill, Alexander Pritzel +19

    Preprint20212 iqtibos
    ABI

  14. Structures of p53 Cancer Mutants and Mechanism of Rescue by Second-site Suppressor Mutations

    Andreas C. Joerger, Hwee Ching Ang, Dmitry B. Veprintsev +2

    Maqola20052 iqtibos
    ABI

  15. Structural Biology of the Tumor Suppressor p53

    Andreas C. Joerger, Alan R. Fersht

    Sharh maqola20082 iqtibos
    ABI

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