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Modification and optimization of the united-residue (UNRES) potential energy function for canonical simulations. I. Temperature dependence of the effective energy function and tests of the optimization method with single training proteins.
Liwo A, Khalili M, Czaplewski C, Kalinowski S, Ołdziej S, Wachucik K, Scheraga HA. Liwo A, et al. J Phys Chem B. 2007 Jan 11;111(1):260-85. doi: 10.1021/jp065380a. J Phys Chem B. 2007. PMID: 17201450 Free PMC article.
Physics-based protein-structure prediction using a hierarchical protocol based on the UNRES force field: assessment in two blind tests.
Ołdziej S, Czaplewski C, Liwo A, Chinchio M, Nanias M, Vila JA, Khalili M, Arnautova YA, Jagielska A, Makowski M, Schafroth HD, Kaźmierkiewicz R, Ripoll DR, Pillardy J, Saunders JA, Kang YK, Gibson KD, Scheraga HA. Ołdziej S, et al. Proc Natl Acad Sci U S A. 2005 May 24;102(21):7547-52. doi: 10.1073/pnas.0502655102. Epub 2005 May 13. Proc Natl Acad Sci U S A. 2005. PMID: 15894609 Free PMC article.