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Literature DB >> 1167625

Computer simulation of protein folding.

Abstract

A new and very simple representation of protein conformations has been used together with energy minimisation and thermalisation to simulate protein folding. Under certain conditions, the method succeeds in "renaturing" bovine pancreatic trypsin inhibitor from an open-chain conformation into a folded conformation close to that of the native molecule.

Entities: Species

Mesh：

Substances：
Trypsin Inhibitors

Year: 1975 PMID： 1167625 DOI： 10.1038/253694a0

Source DB: PubMed Journal: Nature ISSN： 0028-0836 Impact factor: 49.962

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Cited

185 in total

1. Recent improvements in prediction of protein structure by global optimization of a potential energy function.

Authors: J Pillardy; C Czaplewski; A Liwo; J Lee; D R Ripoll; R Kaźmierkiewicz; S Oldziej; W J Wedemeyer; K D Gibson; Y A Arnautova; J Saunders; Y J Ye; H A Scheraga
Journal: Proc Natl Acad Sci U S A Date: 2001-02-20 Impact factor: 11.205

2. Predicting the structures of 18 peptides using Geocore.

Authors: K Ishikawa; K Yue; K A Dill
Journal: Protein Sci Date: 1999-04 Impact factor: 6.725

3. Heat capacity of protein folding.

Authors: A Bakk; J S Høye; A Hansen
Journal: Biophys J Date: 2001-08 Impact factor: 4.033

4. A novel approach to decoy set generation: designing a physical energy function having local minima with native structure characteristics.

Authors: Chen Keasar; Michael Levitt
Journal: J Mol Biol Date: 2003-05-23 Impact factor: 5.469

9. Energy-based de novo protein folding by conformational space annealing and an off-lattice united-residue force field: application to the 10-55 fragment of staphylococcal protein A and to apo calbindin D9K.

Authors: J Lee; A Liwo; H A Scheraga
Journal: Proc Natl Acad Sci U S A Date: 1999-03-02 Impact factor: 11.205

10. Elucidating the higher-order structure of biopolymers by structural probing and mass spectrometry: MS3D.

Authors: Daniele Fabris; Eizadora T Yu
Journal: J Mass Spectrom Date: 2010-08 Impact factor: 1.982

Computer simulation of protein folding.

1. Recent improvements in prediction of protein structure by global optimization of a potential energy function.

2. Predicting the structures of 18 peptides using Geocore.

3. Heat capacity of protein folding.

4. A novel approach to decoy set generation: designing a physical energy function having local minima with native structure characteristics.

5. Prediction of the tertiary structure of parathyroid-hormone-related protein (residues 1-34) by the island model.

6. Electrostatic origin of the mechanochemical rotary mechanism and the catalytic dwell of F1-ATPase.

7. Algorithm discovery by protein folding game players.

Review 8. Capturing the essence of folding and functions of biomolecules using coarse-grained models.

9. Energy-based de novo protein folding by conformational space annealing and an off-lattice united-residue force field: application to the 10-55 fragment of staphylococcal protein A and to apo calbindin D9K.

10. Elucidating the higher-order structure of biopolymers by structural probing and mass spectrometry: MS3D.