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ROSETTA scoring function p(sequence structure p(structure sequence)=p(structure)x (sequence) sequence is constant need to estimate for decoys built from fragments Main contributions to P(structure) secondary structure packing (e.g. ensureβ- strands formβ- sheets Vdw packing Simons et al. PROTEINs(1999)34, 82-95ROSETTA scoring function P (structure | sequence) = P (structure) × P ( sequence | structure ) P( sequence) sequence is constant need to estimate for decoys built from fragments Main contributions to P(structure) - secondary structure packing (e.g. ensure β-strands form β-sheets) - VdW packing Simons et al. PROTEINS (1999) 34, 82-95
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