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Fragment-based Computational Protein Design with Cost Function Network David Simoncini, Sophie Barbe and Thomas Schiex Math ematiques et Informatique appliqu ees de Toulouse, INRA Simoncini & Barbe & Schiex Fragment-based CPD with

  1. Fragment-based Computational Protein Design with Cost Function Network David Simoncini, Sophie Barbe and Thomas Schiex Math´ ematiques et Informatique appliqu´ ees de Toulouse, INRA Simoncini & Barbe & Schiex Fragment-based CPD with CFN

  2. Background PhD. Thesis, Computer Science University of Nice-Sophia Antipolis, France Selective pressure in cellular evolutionary algorithms Postdoctoral fellowship Zhang IRU, RIKEN, Japan Fragment-based protein structure prediction Computational protein design Simoncini & Barbe & Schiex Fragment-based CPD with CFN

  3. Computational protein design and cost function networks CPD as a cost function network Interactions can be decomposed as a sum of one-body and two-body energy terms. n n − 1 � E ( x r 1 � � E ( x r 1 i , y r 2 E S = i ) + j ) i =1 i =1 j > i Simoncini & Barbe & Schiex Fragment-based CPD with CFN

  4. Fragment-based approach Covering of a protein with fragments Simoncini & Barbe & Schiex Fragment-based CPD with CFN

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