TOUCHSTONE: An ab initio protein structure prediction method that uses threading-based tertiary restraints
نویسندگان
چکیده
منابع مشابه
TOUCHSTONE: an ab initio protein structure prediction method that uses threading-based tertiary restraints.
The successful prediction of protein structure from amino acid sequence requires two features: an efficient conformational search algorithm and an energy function with a global minimum in the native state. As a step toward addressing both issues, a threading-based method of secondary and tertiary restraint prediction has been developed and applied to ab initio folding. Such restraints are deriv...
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Proteins are vital components of all living cells and play a critical role in almost all biological processes. Protein structure identification is a significant challenging problem in computational biology. The Protein's three-dimensional (i.e., tertiary) molecular structure reflects its proper function. Therefore, the identification of protein structure is a significant step towards understand...
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Predicting protein 3D structures from the amino acid sequence still remains as an unsolved problem after five decades of efforts. If the target protein has a homologue already solved, the task is relatively easy and high-resolution models can be built by copying the framework of the solved structure. However, such a modelling procedure does not help answer the question of how and why a protein ...
متن کاملTOUCHSTONE II: a new approach to ab initio protein structure prediction.
We have developed a new combined approach for ab initio protein structure prediction. The protein conformation is described as a lattice chain connecting C(alpha) atoms, with attached C(beta) atoms and side-chain centers of mass. The model force field includes various short-range and long-range knowledge-based potentials derived from a statistical analysis of the regularities of protein structu...
متن کاملAb initio protein structure prediction via a combination of threading, lattice folding, clustering, and structure refinement.
A combination of sequence comparison, threading, lattice, and off-lattice Monte Carlo (MC) simulations and clustering of MC trajectories was used to predict the structure of all (but one) targets of the CASP4 experiment on protein structure prediction. Although this method is automated and is operationally the same regardless of the level of uniqueness of the query proteins, here we focus on th...
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ژورنال
عنوان ژورنال: Proceedings of the National Academy of Sciences
سال: 2001
ISSN: 0027-8424,1091-6490
DOI: 10.1073/pnas.181328398