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@ARTICLE{Zimmermann:62830,
      author       = {Zimmermann, O. and Hansmann, U. H. E.},
      title        = {{U}nderstanding protein folding: {S}mall proteins in
                      silico},
      journal      = {Biochimica et biophysica acta / Proteins and proteomics},
      volume       = {1784},
      issn         = {1570-9639},
      address      = {Amsterdam [u.a.]},
      publisher    = {Elsevier},
      reportid     = {PreJuSER-62830},
      pages        = {252 - 258},
      year         = {2008},
      note         = {Record converted from VDB: 12.11.2012},
      abstract     = {Recent improvements in methodology and increased computer
                      power now allow atomistic computer simulations of protein
                      folding. We briefly review several advanced Monte Carlo
                      algorithms that have contributed to this development.
                      Details of folding simulations of three designed mini
                      proteins are shown. Adding global translations and rotations
                      has allowed us to handle multiple chains and to simulate the
                      aggregation of six beta-amyloid fragments. In a different
                      line of research we have developed several algorithms to
                      predict local features from sequence. In an outlook we
                      sketch how such biasing could extend the application
                      spectrum of Monte Carlo simulations to structure prediction
                      of larger proteins.},
      keywords     = {Algorithms / Computational Biology: methods / Computer
                      Simulation / Models, Molecular / Monte Carlo Method /
                      Protein Conformation / Protein Folding / Proteins: chemistry
                      / Proteins (NLM Chemicals) / J (WoSType)},
      cin          = {NIC},
      ddc          = {570},
      cid          = {I:(DE-Juel1)NIC-20090406},
      pnm          = {Scientific Computing},
      pid          = {G:(DE-Juel1)FUEK411},
      shelfmark    = {Biochemistry $\&$ Molecular Biology / Biophysics},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:18036571},
      pmc          = {pmc:PMC2244683},
      UT           = {WOS:000253013200025},
      doi          = {10.1016/j.bbapap.2007.10.010},
      url          = {https://juser.fz-juelich.de/record/62830},
}