De novo protein design: fully automated sequence selection.

@article{Dahiyat1997DeNP,
  title={De novo protein design: fully automated sequence selection.},
  author={Bassil I. Dahiyat and Stephen L. Mayo},
  journal={Science},
  year={1997},
  volume={278 5335},
  pages={
          82-7
        }
}
The first fully automated design and experimental validation of a novel sequence for an entire protein is described. A computational design algorithm based on physical chemical potential functions and stereochemical constraints was used to screen a combinatorial library of 1.9 x 10(27) possible amino acid sequences for compatibility with the design target, a betabetaalpha protein motif based on the polypeptide backbone structure of a zinc finger domain. A BLAST search shows that the designed… 
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11 Computational Protein Design
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This chapter introduces the automated protein design and experimental validation of a novel designed sequence, as described in Dahiyat and Mayo [1]. Given a three-dimensional (3D) backbone structure,
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The diverse applications of computational protein design with ORBIT (Optimization of Rotamers by Iterative Techniques) are reported, and an important residue position capable of modulating the agonist specificity of the mouse muscle nicotinic acetylcholine receptor (nAChR) is identified.
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TLDR
While the grand challenge of protein folding is to understand how a particular protein, defined by its amino acid sequence, finds its unique three-dimensional structure, protein design involves the discovery of sets of amino acid sequences that form functional proteins and fold into specific target structures.
De novo protein design. II. Plasticity in sequence space.
TLDR
A new approach for protein sequence design is developed, which optimizes the complete sequence of a protein based on the knowledge of its backbone structure, its amino acid composition and a physical energy function including van der Waals interactions, electrostatics, and environment free energy.
In silico protein design by combinatorial assembly of protein building blocks
TLDR
A de novo computational algorithm is proposed that implements a strategy of designing a protein using relatively stable fragments, with a high population time, to engineer new naturally occurring folds with low homology to existing proteins.
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