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@INPROCEEDINGS{Mohanty:1050137,
      author       = {Mohanty, Sandipan},
      title        = {{P}rotein {F}olding and {D}esign using {Q}uantum
                      {A}nnealing},
      school       = {Forschungszentrum Jülich},
      reportid     = {FZJ-2025-05841},
      year         = {2025},
      abstract     = {Using a simple lattice model with a 2 letter amino acid
                      alphabet (H: hydrophobic and P: polar), we have explored the
                      important biophysical problems of protein folding and
                      protein design. Our formulation of these problems features a
                      simple algebraic form for the Hamiltonian irrespective of
                      the system size and composition. Since exact results are
                      available from for lattice HP chains up to a size of 30, we
                      were able to thoroughly validate our approach. The D-Wave
                      advantage quantum annealer successfully identifies the
                      ground state of the HP model protein chain in $100\%$ of
                      cases. For a few longer protein chains with up to 64 amino
                      acids, where exact enumerations were not available but
                      extensive Monte Carlo studies exist, the D-Wave hybrid
                      annealer found the correct ground states within minutes,
                      once again with a $100\%$ success rate. Applying the same
                      technique to the protein design problem, we found novel HP
                      protein sequences with the same ground state as the largest
                      systems we studied for folding. In contrast to the sequences
                      used for folding, some of our newly found sequences had
                      unique rather than degenerate ground states.},
      month         = {May},
      date          = {2025-05-27},
      organization  = {IAS Retreat, Jülich (Germany), 27 May
                       2025 - 27 May 2025},
      subtyp        = {After Call},
      cin          = {JSC},
      cid          = {I:(DE-Juel1)JSC-20090406},
      pnm          = {5111 - Domain-Specific Simulation $\&$ Data Life Cycle Labs
                      (SDLs) and Research Groups (POF4-511)},
      pid          = {G:(DE-HGF)POF4-5111},
      typ          = {PUB:(DE-HGF)24},
      doi          = {10.34734/FZJ-2025-05841},
      url          = {https://juser.fz-juelich.de/record/1050137},
}