Library Subscription: Guest
Begell Digital Portal Begell Digital Library eBooks Journals References & Proceedings Research Collections
Critical Reviews™ in Eukaryotic Gene Expression
IF: 2.156 5-Year IF: 2.255 SJR: 0.649 SNIP: 0.599 CiteScore™: 3

ISSN Print: 1045-4403
ISSN Online: 2162-6502

Critical Reviews™ in Eukaryotic Gene Expression

DOI: 10.1615/CritRevEukaryotGeneExpr.2014010201
pages 311-324

Identification of Best Protein Crystallization Methods by Molecular Dynamics (MD)

Marine Bozdaganyan
Nanoworld Institute Fondazione EL.B.A Nicolini (FEN), Pradalunga, Largo Redaelli 7, Bergamo 24100, Italy; Lomonosov Moscow State University, Biological Faculty, 119991 Moscow, Leninskie Gory, 1/19, Russia
Nicola Luigi Bragazzi
Nanoworld Institute Fondazione EL.B.A Nicolini (FEN), Pradalunga, Largo Redaelli 7, Bergamo 24100, Italy; Biophysics and Nanobiotechnology Laboratories (BNL), Department of Experimental Medicine (DIMES), University of Genoa, Via Antonio Pastore 3, Genoa
Eugenia Pechkova
Nanoworld Institute Fondazione ELBA Nicolini, Pradalunga, Bergamo 24100, Italy ; Biophysics and Nanobiotechnology Laboratories, Department of Experimental Medicine, University of Genova, Genoa 16121-16167, Italy; European Synchrotron Radiation Facility
Konstantin V. Shaitan
Lomonosov Moscow State University, Biological Faculty, 119991 Moscow, Leninskie Gory, 1/19, Russia; Semenov Institute of Chemical Physics, 119991 Moscow, Kosygina str. 2, Russia
Claudio Nicolini
Nanoworld Institute Fondazione ELBA Nicolini, Pradalunga, Bergamo 24100, Italy; Biophysics and Nanobiotechnology Laboratories, Department of Experimental Medicine, University of Genova, Genoa 16121-16167, Italy; European Synchrotron Radiation Facility

ABSTRACT

A full-atom structure of a protein provides an important piece of information for molecular biologists, but has to be complemented by further knowledge concerning its conformational mobility and functional properties. Some scholars have proposed to integrate proteomics-derived data (mainly obtained with techniques like X-ray and NMR crystallography) with protein bioinformatics and computational approaches, above all molecular dynamics (MD), in order to gain better elucidations about proteins. MD simulations have been applied to different areas of protein sciences, but so far few efforts have been made to couple MD with an understanding of the different crystallization techniques that have been proposed during the decades, like classical vapor diffusion hanging drop and its variants (such as sitting drop), in space- and LB (Langmuir-Blodgett)-based crystallization procedures. Using MD, we show here that the optimal protein crystallization techniques prove to be significantly those based on the LB nanotemplate and on space when compared to the classical vapour diffusion hanging drop and its variants.


Articles with similar content:

A Review of the Strategies for Obtaining High-Quality Crystals Utilizing Nanotechnologies and Microgravity
Critical Reviews™ in Eukaryotic Gene Expression, Vol.24, 2014, issue 4
Luca Belmonte, Eugenia Pechkova, Claudio Nicolini, Nicola Luigi Bragazzi, Marine Bozdaganyan
Methods of Signal Processing in Radio Systems on the Basis of Scalar Intersection-Integration Algorithms
Telecommunications and Radio Engineering, Vol.67, 2008, issue 17
R. I. Ryumshin, S. L. Sakharov
NOVEL NANOSCALE HIGH ENERGETIC MATERIALS: NANOSTRUCTURED POLYMERIC NITROGEN AND POLYNITROGEN
International Journal of Energetic Materials and Chemical Propulsion, Vol.7, 2008, issue 5
Hakima Abou-Rachid, Anguang Hu, David Arato, Xueliang Sun, Sylvain Desilets
NON-EQUILIBRIUM MASS TRANSFER AT LIQUID-VAPOR INTERFACE
Proceedings of Symposium on Energy Engineering in the 21st Century (SEE2000) Volume I-IV, Vol.0, 2000, issue
Gyoko Nagayama, Takaharu Tsuruta
Hybrid MD-LBM method for fluid flow based on the continuous and discrete velocity distribution functions
Second Thermal and Fluids Engineering Conference, Vol.24, 2017, issue
Zi-Xiang Tong, Ya-Ling He, Ming-Jia Li