FP6Реинтеграция2005–2006

MOBIOMAC · Models of biological macromolecules

6РП — Действия „Мария Кюри“

Период
2005-02-17 → 2006-02-16
Финансиране от ЕС
40 000 €
Участници
1
Схема
ERG

Линиите свързват координатора с партньорите.

Накратко на български

Биологичните макромолекули, като ДНК и моторните протеини, се анализират чрез физически модели и компютърни симулации. Това помага за по-доброто разбиране на начина, по който тези системи превръщат химическата енергия в механична работа.

Този кратък обзор е генериран от изкуствен интелект

Кратко обяснение, генерирано от езиков модел по текста на CORDIS. Оригиналът е по-долу.

Резултати накратко

Final Activity Report Summary - MOBIOMAC (Models of Biological Macromolecules)

The MOBIOMAC project has focused on several tools derived from theoretical physics and, in particular, from statistical mechanics for the investigation of molecules of biological relevance. Recent advances in experimental techniques have made it possible to obtain information on single molecules, rather than averaging over large collections of molecules (ensembles). Our research has been devoted to the application of analytical calculations, computer simulations and experimental data analysis on several molecules of biological relevance and/or polymers of direct technological interest. The main objectives of the originally proposed project were divided in three research lines, comprising the description of biological systems which are able to use chemical energy to perform mechanical work (mechanochemical systems, research objective 1), the characterisation of biopolymers (DNA, actin or microtubules) in confining nano- or micro-tubes (research objective 2) and the investigation of simplified models for the description of protein structures and organic molecules in general (research objective 3). The MOBIOMAC project resulted in an accurate study of theoretical models for the description of mechanochemical systems (research objective 1), in particular by collecting, organizing and studying the relevant literature to extend the previously proposed models for the interpretation of data from single molecule experiments on several mechanochemical systems (motor proteins, DNA translocation). These studies, performed in collaboration with the University of Padua (Italy) are expected to yield a full theoretical description of mechanochemical systems and form part of a new project coordinated by Dr Lattanzi and financed over the years 2006-2008 by the Italian Minister for University and Research (MIUR-COFIN2005). The research objective 2 was carried out in collaboration with the Ludwig-Maximillians University in Munich (Germany) and the European Molecular Biology Laboratory in Heidelberg (Germany). A major achievement of the project is the full characterization of the physics of confined polymers, which constitutes the main topic of two scientific papers in preparation. Besides the intrinsic importance of the acquired theoretical tools, they are expected to provide a useful roadmap for experiments on biological filaments, in particular actin (which constitutes one of the main components of the cellular environment) and DNA. This result is particularly important since DNA confinement might substitute, in a close future, gel-electrophoresis, currently the leading technique in the complex process of DNA sequencing, ensuring a rapid screening of entire genomes in a reasonable time. In addition, the models studied in this context were applied to obtain a full investigation of the elastic properties of microtubules, other major constituents of the cellular architecture. Our research allowed the interpretation of the puzzling data on the different elastic parameters and obtained a remarkable attention within the biophysical community. The research objective 3 led to a fruitful collaboration on synthetic organic conjugated polymers within the University of Bari (Department of Chemistry, Prof. Torsi): these polymers constitute a new class of material and have many technological implications, in particular as detectors of dangerous substances even at very low concentrations, or in the development of thin flexible screens. Our research introduced computer simulations in this context, which constitute a powerful tool to test new polymers prior to their chemical synthesis. In addition, the project has focused on protein models, applied to two proteins of direct medical interest: the inhibiting factor 1 (IF1) and the F0F1-ATP synthase, both related to the cellular respiration. This part, carried out in collaboration with the Medical Research Council in Cambridge, United Kingdom, has been extended and financed by MIUR over the years 2006-2008.

Текст от CORDIS, на английски · Данни: CORDIS, © Европейски съюз

Цел на проекта

The project deals with the development, analysis and application of coarse-grained models for the study of macromolecules of biological importance. The size and operational time scale of these molecules often prevent a direct application of more detailed calculations and descriptions, and requires the development of computationally efficient, yet physically sound, coarse grained models. Since biological macromolecules operate in an aqueous environment characterized by a huge thermal noise, these models are stochastic in nature and constitute a challenge for the field of non-equilibrium statistical physics.The project is divided into three research objectives. In the research objective 1, I propose a rigorous study of the kinetics of motor proteins with the help of methods of statistical physics. The generalization of these theories is important for a number of problems of biological relevance, as polymer translocation and DNA/RNA packing in viruses. The characterization of equilibrium properties of polymers of arbitrary stiffness in confined geometries constitutes the main focus of the research objective 2. Analytical methods and Monte Carlo computer simulations are used to calculate probability distribution functions and entropic forces with a number of different boundary conditions. Applications are foreseen in biophysical studies of F-actin, DNA, microtubules and other protein filaments.The research objective 3 aims at the conceivement and application of computationally efficient coarse-grained models for the investigation of protein structures of considerable size. A considerable part of the project is dedicated to the introduction of the electrostatic interaction in Go models, an essential step to address the study of the function of proteins, given their structure. The validity of the proposed models will be assessed through a comparison with more detailed calculations for a number of target biomolecules of small size.

Оригинален текст от CORDIS (на английски).

Участници

  • UNIVERSITA DEGLI STUDI DI BARI · BARIКоординаторИталия

Връзки

Данни: CORDIS, © Европейски съюз