Optimizing potentials for the inverse protein folding problem

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Optimizing potentials for the inverse protein folding problem.

Inverse protein folding, which seeks to identify sequences that fold into a given structure, has been approached by threading candidate sequences onto the structure and scoring them with database-derived potentials. The sequences with the lowest energies are predicted to fold into that structure. It has been argued that the limited success of this type of approach is not due to the discrepancy ...

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15 صفحه اول

Towards Solving the Inverse Protein Folding Problem

Accurately assigning folds for divergent protein sequences is a major obstacle to structural studies and underlies the inverse protein folding problem. Herein, we outline our theories for fold-recognition in the “twilight-zone” of sequence similarity (<25% identity). Our analyses demonstrate that structural sequence profiles built using Position-Specific Scoring Matrices (PSSMs) significantly o...

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Inverse Protein Folding Problem via Quadratic Programming

This paper presents a method of reconstruction a primary structure of a protein that folds into a given geometrical shape. This method predicts the primary structure of a protein and restores its linear sequence of amino acids in the polypeptide chain using the tertiary structure of a molecule. Unknown amino acids are determined according to the principle of energy minimization. This study repr...

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The inverse protein folding problem on 2D and 3D lattices

In this paper we investigate the inverse protein folding (IPF) problem under the Canonical model on 3D and 2D lattices [13, 26]. In this problem, we are given a contact graph G = (V,E) of a protein sequence that is embeddable in a 3D (respectively, 2D) lattice and an integer 1 ≤ K ≤ |V |. The goal is to find an induced subgraph of G of at most K vertices with the maximum number of edges. In thi...

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ژورنال

عنوان ژورنال: Protein Engineering Design and Selection

سال: 1998

ISSN: 1741-0126,1741-0134

DOI: 10.1093/protein/11.9.749