A novel approach to computer simulation of protein-protein complex formation

In this work, the authors developed a new method for determination of binding areas in proteins and precomplex structure with allowance for the Brownian diffusion and electrostatic interactions of proteins that occur when proteins approach one another. This method significantly simplies subsequent p...

Full description

Saved in:
Bibliographic Details
Published in:Doklady. Biochemistry and biophysics 2009-08, Vol.427 (1), p.215-217
Main Authors: Kovalenko, I. B., Abaturova, A. M., Riznichenko, G. Yu, Rubin, A. B.
Format: Article
Language:English
Subjects:
Biochemistry
Biological and Medical Physics
Biomedical and Life Sciences
Biophysics
Computer Simulation
Diffusion
Life Sciences
Models, Molecular
Molecular Biology
Molecules
Probability
Protein Binding
Proteins
Proteins - chemistry
Proteins - metabolism
Simulation
Static Electricity
Studies
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:In this work, the authors developed a new method for determination of binding areas in proteins and precomplex structure with allowance for the Brownian diffusion and electrostatic interactions of proteins that occur when proteins approach one another. This method significantly simplies subsequent precise simulation and prediction of the final complex structure. The Brownian dynamics method, which can be used for predicting the structure of protein complexes, considers the interaction of only two molecules in solution. A characteristic feature and novelty of the method, as is shown below, is the possibility to use it for studying interaction of several protein molecules simultaneously. This makes it possible to simulate the formation of a large number of complexes, which takes place in solution or cell compartments and to monitor the real-time kinetics of this process.
ISSN:1607-6729
1608-3091
DOI:10.1134/S1607672909040127