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36 та иш

Иш: 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

    Мақола201530 иқтибос
    ABI

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

    Michele Parrinello, A. Rahman

    Мақола198127 иқтибос
    ABI

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

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

    Мақола202026 иқтибос
    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

    Мақола199316 иқтибос
    ABI

  5. Highly accurate protein structure prediction with AlphaFold

    John Jumper, Richard Evans, Alexander Pritzel +31

    Мақола202110 иқтибос
    ABI

  6. Canonical dynamics: Equilibrium phase-space distributions

    William G. Hoover

    Мақола19858 иқтибос
    ABI

  7. Accurate structure prediction of biomolecular interactions with AlphaFold 3

    Josh Abramson, Jonas Adler, Jack Dunger +45

    Мақола20245 иқтибос
    ABI

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

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

    МақолаAdenosine and Purinergic SignalingBiochimica et Biophysica Acta (BBA) - General Subjects20234 иқтибос
    ABI

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

    Sana Kari, Akshaya Murugesan, Ramesh Thiyagarajan +5

    МақолаReceptor Mechanisms and SignalingBiomedicine & Pharmacotherapy20233 иқтибос
    ABI

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

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

    Мақола20113 иқтибос
    ABI

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

    Khondamir R Rustamov, Artyom Y. Baev

    МақолаChemokine receptors and signalingBioinformatics Advances20242 иқтибос
    ABI

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

    Justin A. Lemkul, David R. Bevan

    Мақола20102 иқтибос
    ABI

  13. Protein complex prediction with AlphaFold-Multimer

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

    Препринт20212 иқтибос
    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

    Мақола20052 иқтибос
    ABI

  15. Structural Biology of the Tumor Suppressor p53

    Andreas C. Joerger, Alan R. Fersht

    Шарҳ мақола20082 иқтибос
    ABI

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