Content area

Abstract

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.

Details

Title
A novel approach to computer simulation of protein-protein complex formation
Publication title
Volume
427
Issue
1
Pages
215-7
Publication year
2009
Publication date
Aug 2009
Publisher
Springer Nature B.V.
Place of publication
Moscow
Country of publication
Netherlands
ISSN
16076729
e-ISSN
16083091
Source type
Scholarly Journal
Language of publication
English
Document type
Journal Article
Accession number
19817140
ProQuest document ID
217749247
Document URL
https://www.proquest.com/scholarly-journals/novel-approach-computer-simulation-protein/docview/217749247/se-2?accountid=208611
Copyright
Pleiades Publishing, Ltd. 2009
Last updated
2023-11-23
Database
ProQuest One Academic