Title Computational methods to study the structure and dynamics of biomolecules and biomolecular processes : from bioinformatics to molecular quantum mechanics / edited by Adam Liwo

Published Berlin ; London : Springer, 2014

Click on the following:
Springer Engineering eBooks
Springer eBooks

Copies

Description 1 online resource Series Springer series in bio-neuroinformatics ; 1 Springer series in bio-/neuroinformatics ; 1. Contents Coarse-Grained Protein Models in Structure Prediction / Maciej Blaszczyk, Dominik Gront, Sebastian Kmiecik, Katarzyna Ziolkowska, Marta Panek and Andrzej Kolinski -- Coarse-Grained Modeling of Protein Dynamics / Sebastian Kmiecik, Jacek Wabik, Michal Kolinski, Maksim Kouza and Andrzej Kolinski -- Physics-Based Modeling of Side Chain -- Side Chain Interactions in the UNRES Force Field / Mariusz Makowski -- Modeling Nucleic Acids at the Residue-Level Resolution / Filip Leonarski and Joanna Trylska -- Modeling of Electrostatic Effects in Macromolecules / Yury N. Vorobjev -- Optimizations of Protein Force Fields / Yoshitake Sakae and Yuko Okamoto -- Enhanced Sampling for Biomolecular Simulations / Workalemahu Berhanu, Ping Jiang and Ulrich H.E. Hansmann -- Determination of Kinetics and Thermodynamics of Biomolecular Processes with Trajectory Fragments / Alfredo E. Cardenas -- Mechanostability of Virus Capsids and Their Proteins in Structure-Based Models / Marek Cieplak -- Computer Modelling of the Lipid Matrix of Biomembranes / Marta Pasenkiewicz-Gierula and Michał Markiewicz -- Modeling of Membrane Proteins / Dorota Latek, Bartosz Trzaskowski, Szymon Niewieczerzał and Przemysław Miszta [and 5 others] -- All-Atom Monte Carlo Simulations of Protein Folding and Aggregation / Anders Irbäck and Sandipan Mohanty -- Molecular Dynamics Studies on Amyloidogenic Proteins / Sylwia Rodziewicz-Motowidło, Emilia Sikorska and Justyna Iwaszkiewicz -- Low-Frequency, Functional, Modes of Proteins: All-Atom and Coarse-Grained Normal Mode Analysis / Adrien Nicolaï, Patrice Delarue and Patrick Senet -- Bioinformatical Approaches to Unstructured/Disordered Proteins and Their Interactions / Bálint Mészáros, Zsuzsanna Dosztányi, Csaba Magyar and István Simon -- Theoretical and Computational Aspects of Protein Structural Alignment / Paweł Daniluk and Bogdan Lesyng -- Simulation of the Protein Folding Process / Roterman Irena, L. Konieczny, M. Banach, D. Marchewka, B. Kalinowska, Z. Baster [and 2 others] -- 13C Chemical Shifts in Proteins: A Rich Source of Encoded Structural Information / Jorge A. Vila and Yelena A. Arnautova -- When Water Plays an Active Role in Electronic Structure: Insights from First-Principles Molecular Dynamics Simulations of Biological Systems / Giovanni La Penna -- Electronic Properties of Iron Sites and Their Active Forms in Porphyrin-Type Architectures / Mariusz Radón and Ewa Broclawik -- Bioinorganic Reaction Mechanisms -- Quantum Chemistry Approach / Tomasz Borowski and Ewa Broclawik Summary Since the second half of the 20th century machine computations have played a critical role in science and engineering. Computer-based techniques have become especially important in molecular biology, since they often represent the only viable way to gain insights into the behavior of a biological system as a whole. The complexity of biological systems, which usually needs to be analyzed on different time- and size-scales and with different levels of accuracy, requires the application of different approaches, ranging from comparative analysis of sequences and structural databases, to the analysis of networks of interdependence between cell components and processes, through coarse-grained modeling to atomically detailed simulations, and finally to molecular quantum mechanics. This book provides a comprehensive overview of modern computer-based techniques for computing the structure, properties and dynamics of biomolecules and biomolecular processes. The twenty-two chapters, written by scientists from all over the world, address the theory and practice of computer simulation techniques in the study of biological phenomena. The chapters are grouped into four thematic sections dealing with the following topics: the methodology of molecular simulations; applications of molecular simulations; bioinformatics methods and use of experimental information in molecular simulations; and selected applications of molecular quantum mechanics. The book includes an introductory chapter written by Harold A. Scheraga, one of the true pioneers in simulation studies of biomacromolecules Analysis eiwitten proteins mechanica mechanics bioinformatics computational science engineering computationele chemie computational chemistry Engineering (General) Techniek (algemeen) Notes Includes author index Bibliography Includes bibliographical references and index Notes Print version record Subject Biomolecules -- Structure -- Computer simulation Molecular dynamics -- Computer simulation Molecular biology -- Computer simulation Bioinformatics. Computational biology. Computational Biology Molecular Biology SCIENCE -- Life Sciences -- Biochemistry. Ingénierie. Computational biology Bioinformatics Biomolecules -- Structure -- Computer simulation Molecular biology -- Computer simulation Molecular dynamics -- Computer simulation Biochemie Computational chemistry Form Electronic book Author Liwo, Adam ISBN 9783642285547 3642285546 9781299857360 1299857361

  Permalink