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Showing 1–6 of 6 results
Advanced filters: Author: Kenneth M. Merz Jr. Clear advanced filters

  • The authors present sample-based quantum diagonalization (SQD) simulations of non-covalent interactions that match the accuracy of state-of-the-art classical methods. These results mark a key step towards quantum advantage, though further advances are needed to fully realize this potential.

    • Danil Kaliakin
    • Akhil Shajan
    • Kenneth M. Merz Jr
    ResearchOpen Access
    Communications Physics
    Volume: 8, P: 1-12

  • In a retrospective analysis of patients with Lynch syndrome and primary cancers treated with immune checkpoint inhibitors, 12% developed subsequent malignancies, suggesting that this treatment may not eliminate risk in individuals predisposed to mismatch repair-deficient cancers, and ongoing surveillance is warranted.

    • Emily C. Harrold
    • Michael B. Foote
    • Zsofia K. Stadler
    Research
    Nature Medicine
    Volume: 29, P: 2458-2463

  • In the Big Data era, a change of paradigm in the use of molecular dynamics is required. Trajectories should be stored under FAIR (findable, accessible, interoperable and reusable) requirements to favor its reuse by the community under an open science paradigm.

    • Rommie E. Amaro
    • Johan Åqvist
    • Modesto Orozco
    Comments & Opinion
    Nature Methods
    Volume: 22, P: 641-645