Document Detail


Monte Carlo simulation study of thermal fluctuations and conformational energy surface of a small protein, basic pancreatic trypsin inhibitor.
MedLine Citation:
PMID:  6171304     Owner:  NLM     Status:  MEDLINE    
Abstract/OtherAbstract:
The conformation energy surface of a small protein, basic pancreatic trypsin inhibitor, is studied to characterize small-amplitude thermal fluctuations in the protein molecule. In order to see the shape of the conformational energy surface near the energy minimum point, the thermal equilibrium of the molecule is stimulated by the Monte Carlo method of Metropolis et al. From the sample of the equilibrium population, which reflects the shape of the energy surface, orthogonal directions are generated in the conformational space, and the conformational energy is actually calculated along these directions. All energy profiles along these directions are found to be approximately a parabola within the range of thermal fluctuations, which suggests the possibility of harmonic approximation to the conformational energy surface of the globular protein.
Authors:
T Noguti; N Go; T Ooi; K Nishikawa
Related Documents :
21934734 - Dirac-cone photonic surface states in three-dimensional photonic crystal slab.
9642074 - Inter-helical interactions in the leucine zipper coiled coil dimer: ph and salt depende...
19479894 - Conformational effects in photoelectron circular dichroism of alaninol.
23973604 - Color tunable emission in ce(3+) and tb(3+) co-doped ba2ln(bo3)2cl (ln=gd and y) phosph...
22334474 - Temperature-responsive polymer/carbon nanotube hybrids: smart conductive nanocomposite ...
20867094 - Universal properties in ultracold ion-atom interactions.
Publication Detail:
Type:  Journal Article; Research Support, Non-U.S. Gov't    
Journal Detail:
Title:  Biochimica et biophysica acta     Volume:  671     ISSN:  0006-3002     ISO Abbreviation:  Biochim. Biophys. Acta     Publication Date:  1981 Nov 
Date Detail:
Created Date:  1982-02-12     Completed Date:  1982-02-12     Revised Date:  2008-11-21    
Medline Journal Info:
Nlm Unique ID:  0217513     Medline TA:  Biochim Biophys Acta     Country:  NETHERLANDS    
Other Details:
Languages:  eng     Pagination:  93-8     Citation Subset:  IM    
Export Citation:
APA/MLA Format     Download EndNote     Download BibTex
MeSH Terms
Descriptor/Qualifier:
Aprotinin*
Hot Temperature
Models, Biological
Protein Conformation
Thermodynamics
Chemical
Reg. No./Substance:
9087-70-1/Aprotinin

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine


Previous Document:  Efficiency of T4 DNA ligase-catalyzed end joining after S1 endonuclease treatment on duplex DNA cont...
Next Document:  The phosphogluconate pathway and synthesis of 5-phosphoribosyl-1-pyrophosphate in human fibroblasts.