Andrzej Kolinski Research Group

Coarse-grained protein modeling

Modeling Software & Servers

Biomolecules — dynamics & interactions

Multiscale Modeling

"Thanks to enormous progress in sequencing of genomic data, presently we know millions of protein sequences. At peut on se procurer du viagra sans ordonnance the same time the number of experimentally solved protein structures is much smaller. This is because of large cost of structure determination. Thus, the theoretical in silico prediction of protein structures and dynamics is essential for understanding the molecular basis of drug action, metabolic and signaling pathways in living cells, and designing new technologies in the life science and material sciences. 

 

Unfortunately, a “brute force” approach remains impractical. Folding of a typical protein (in vivo or in vitro) takes milliseconds to minutes, while the state-of-the-art all-atom molecular mechanics simulations of protein systems can cover only a time period of nanoseconds to microseconds. This is the reason for the enormous progress in the development of various multiscale modeling techniques applied to protein structure prediction, modeling of protein dynamics and folding pathways, in silico protein engineering, model-aided interpretation of experimental data, modeling of macromolecular assemblies, and theoretical studies of protein thermodynamics. Coarse-graining of the proteins’ conformational space is a common feature of all these approaches, although the details and the underlying physical models span a very broad spectrum."

 

excerpt from the preface of "Multiscale Approaches to Protein Modeling" Andrzej Kolinski ed., Springer 2011 [read the full preface to the comprehensive review of multiscale modeling approaches]

 

Publications:

[1]
Author(s): Sebastian Kmiecik; Dominik Gront; Michal Kolinski; Lukasz Wieteska; Aleksandra Dawid; Andrzej Koliński
Chemical Reviews, 116:7898–7936, 2016
[2]
Author(s): Jacek Wabik; Sebastian Kmiecik; Dominik Gront; Maksim Kouza; Andrzej Koliński
International Journal of Molecular Sciences, 14:9893–9905, 2013
[3]
Author(s): Sebastian Kmiecik; Dominik Gront; Maksim Kouza; Andrzej Koliński
The Journal of Physical Chemistry B, 116:7026–32, 2012
[4]
Author(s): Mateusz Kurcinski; Michal Jamroz; Andrzej Koliński
Multiscale Approaches to Protein Modeling, 21-34, 2011
[5]
Author(s): Sebastian Kmiecik; Michal Jamroz; Andrzej Koliński; Andrzej Koliński
Multiscale Approaches to Protein Modeling, 281-294, 2011
[6]
Author(s): Sebastian Kmiecik; Andrzej Koliński
Biophysical Journal, 94:726–36, 2008