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Author : Andrzej Koliński
Publisher : Landes Bioscience
Page : 224 pages
File Size : 54,5 Mb
Release : 1996
Category : Medical
ISBN : UOM:39015038595826
Author : Andrzej Kolinski
Publisher : Springer Science & Business Media
Page : 360 pages
File Size : 42,6 Mb
Release : 2010-10-13
Category : Science
ISBN : 9781441968890
The book gives a comprehensive review of the most advanced multiscale methods for protein structure prediction, computational studies of protein dynamics, folding mechanisms and macromolecular interactions. It approaches span a wide range of the levels of coarse-grained representations, various sampling techniques and variety of applications to biomedical and biophysical problems. This book is intended to be used as a reference book for those who are just beginning their adventure with biomacromolecular modeling but also as a valuable source of detailed information for those who are already experts in the field of biomacromolecular modeling and in related areas of computational biology or biophysics.
Author : Peter Grassberger,Walter Nadler,G T Barkema
Publisher : World Scientific
Page : 346 pages
File Size : 42,7 Mb
Release : 1998-11-06
Category : Science
ISBN : 9789814544276
Information on our detailed genetic code is increasing at a dramatic pace. We need to understand how that is translated into the three-dimensional structure of proteins in order to make use of the information. Progress in this field is hampered by the lack of precise force fields and of efficient codes for finding equilibrium configurations of heteropolymers. However, there has been rapid advance in recent years, and this volume discusses that.
Author : Adam Liwo
Publisher : Springer
Page : 851 pages
File Size : 46,5 Mb
Release : 2018-12-19
Category : Technology & Engineering
ISBN : 9783319958439
This book provides a comprehensive overview of modern computer-based techniques for analyzing the structure, properties and dynamics of biomolecules and biomolecular processes. It is organized in four main parts; the first one deals with methodology of molecular simulations; the second one with applications of molecular simulations; the third one introduces bioinformatics methods and the use of experimental information in molecular simulations; the last part reports on selected applications of molecular quantum mechanics. This second edition has been thoroughly revised and updated to include the latest progresses made in the respective field of research.
Author : Ying Xu,Dong Xu,Jie Liang
Publisher : Springer Science & Business Media
Page : 408 pages
File Size : 40,8 Mb
Release : 2007-08-24
Category : Science
ISBN : 9780387683720
Volume One of this two-volume sequence focuses on the basic characterization of known protein structures, and structure prediction from protein sequence information. Eleven chapters survey of the field, covering key topics in modeling, force fields, classification, computational methods, and structure prediction. Each chapter is a self contained review covering definition of the problem and historical perspective; mathematical formulation; computational methods and algorithms; performance results; existing software; strengths, pitfalls, challenges, and future research.
Author : Giovanni Salvi
Publisher : Sudwestdeutscher Verlag Fur Hochschulschriften AG
Page : 108 pages
File Size : 42,8 Mb
Release : 2009
Category : Electronic
ISBN : 3838107713
Protein folding stands as one of the major interdisciplinary challenges of the last fifteen years, involving biology, chemistry, medicine and physics. In this book solvent effects, and the related hydrophobic effect, on proteins are investigated. Using a simple lattice model of proteins, in which the solvent is semi-explicitly taken into account, thermodynamical quantities can be investigated and the crucial role the solvent plays in protein folding can be demonstrated. Of particular relevance is our observation that a simple model, in which the potential energy is described in terms of the interactions between amino-acids only, does not correctly reproduce solvent effects. Approaches like this, in which solvent effects are treated implicitly, are commonly employed in many of more sophisticated models for protein folding dynamics. Our results are then of great importance as they suggest the treatment of the solvent in these models may need to be re-examined.
Author : Andrzej Koliński,Jeffrey Skolnick
Publisher : Landes Bioscience
Page : 224 pages
File Size : 48,9 Mb
Release : 1996
Category : Protein folding
ISBN : UCSD:31822033017195
Author : National Research Council,Division on Engineering and Physical Sciences,Commission on Physical Sciences, Mathematics, and Applications,Chemical Sciences Roundtable
Publisher : National Academies Press
Page : 235 pages
File Size : 54,8 Mb
Release : 1999-08-31
Category : Mathematics
ISBN : 9780309184021
The Chemical Sciences Roundtable provides a forum for discussing chemically related issues affecting government, industry and government. The goal is to strengthen the chemical sciences by foster communication among all the important stakeholders. At a recent Roundtable meeting, information technology was identified as an issue of increasing importance to all sectors of the chemical enterprise. This book is the result of a workshop convened to explore this topic.
Author : Richard A. Friesner
Publisher : John Wiley & Sons
Page : 544 pages
File Size : 51,6 Mb
Release : 2004-04-07
Category : Science
ISBN : 9780471465232
Since the first attempts to model proteins on a computer began almost thirty years ago, our understanding of protein structure and dynamics has dramatically increased. Spectroscopic measurement techniques continue to improve in resolution and sensitivity, allowing a wealth of information to be obtained with regard to the kinetics of protein folding and unfolding, and complementing the detailed structural picture of the folded state. Concurrently, algorithms, software, and computational hardware have progressed to the point where both structural and kinetic problems may be studied with a fair degree of realism. Despite these advances, many major challenges remain in understanding protein folding at both the conceptual and practical levels. Computational Methods for Protein Folding seeks to illuminate recent advances in computational modeling of protein folding in a way that will be useful to physicists, chemists, and chemical physicists. Covering a broad spectrum of computational methods and practices culled from a variety of research fields, the editors present a full range of models that, together, provide a thorough and current description of all aspects of protein folding. A valuable resource for both students and professionals in the field, the book will be of value both as a cutting-edge overview of existing information and as a catalyst for inspiring new studies. Computational Methods for Protein Folding is the 120th volume in the acclaimed series Advances in Chemical Physics, a compilation of scholarly works dedicated to the dissemination of contemporary advances in chemical physics, edited by Nobel Prize-winner Ilya Prigogine.
Author : Tamar Schlick,Hin H. Gan
Publisher : Springer Science & Business Media
Page : 504 pages
File Size : 51,7 Mb
Release : 2012-12-06
Category : Mathematics
ISBN : 9783642560804
This special volume collects invited articles by participants of the Third International Workshop on Methods for Macromolecular Modeling, Courant Institute of Mathematical Sciences, Oct. 12-14, 2000. Leading developers of methods for biomolecular simulations review advances in Monte Carlo and molecular dynamics methods, free energy computational methods, fast electrostatics (particle-mesh Ewald and fast multipole methods), mathematics, and molecular neurobiology, nucleic acid simulations, enzyme reactions, and other essential applications in biomolecular simulations. A Perspectives article by the editors assesses the directions and impact of macromolecular modeling research, including genomics and proteomics. These reviews and original papers by applied mathematicians, theoretical chemists, biomedical researchers, and physicists are of interest to interdisciplinary research students, developers and users of biomolecular methods in academia and industry.
Author : David M. Ferguson,J. Ilja Siepmann,Donald G. Truhlar
Publisher : John Wiley & Sons
Page : 576 pages
File Size : 50,8 Mb
Release : 2009-09-09
Category : Science
ISBN : 9780470142172
In Monte Carlo Methods in Chemical Physics: An Introduction to the Monte Carlo Method for Particle Simulations J. Ilja Siepmann Random Number Generators for Parallel Applications Ashok Srinivasan, David M. Ceperley and Michael Mascagni Between Classical and Quantum Monte Carlo Methods: "Variational" QMC Dario Bressanini and Peter J. Reynolds Monte Carlo Eigenvalue Methods in Quantum Mechanics and Statistical Mechanics M. P. Nightingale and C.J. Umrigar Adaptive Path-Integral Monte Carlo Methods for Accurate Computation of Molecular Thermodynamic Properties Robert Q. Topper Monte Carlo Sampling for Classical Trajectory Simulations Gilles H. Peslherbe Haobin Wang and William L. Hase Monte Carlo Approaches to the Protein Folding Problem Jeffrey Skolnick and Andrzej Kolinski Entropy Sampling Monte Carlo for Polypeptides and Proteins Harold A. Scheraga and Minh-Hong Hao Macrostate Dissection of Thermodynamic Monte Carlo Integrals Bruce W. Church, Alex Ulitsky, and David Shalloway Simulated Annealing-Optimal Histogram Methods David M. Ferguson and David G. Garrett Monte Carlo Methods for Polymeric Systems Juan J. de Pablo and Fernando A. Escobedo Thermodynamic-Scaling Methods in Monte Carlo and Their Application to Phase Equilibria John Valleau Semigrand Canonical Monte Carlo Simulation: Integration Along Coexistence Lines David A. Kofke Monte Carlo Methods for Simulating Phase Equilibria of Complex Fluids J. Ilja Siepmann Reactive Canonical Monte Carlo J. Karl Johnson New Monte Carlo Algorithms for Classical Spin Systems G. T. Barkema and M.E.J. Newman
Author : Teri E Klein,Russ B Altman,A Keith Dunker,Lawrence Hunter
Publisher : World Scientific
Page : 514 pages
File Size : 43,8 Mb
Release : 1996-11-22
Category : Electronic
ISBN : 9789814546638
The Pacific Symposium on Biocomputing (PSB) is an international, multidisciplinary conference for the presentation and discussion of current research in the theory and application of computational methods in problems of biological significance. Papers and presentations are rigorously peer-reviewed and are published in an archival volume that will prove to be a valuable reference for all biochemists and computer scientists.PSB-97 will focus on rapidly advancing areas of research in the field.
Author : Proceedings of the National Academy of Sciences
Publisher : National Academies Press
Page : 334 pages
File Size : 54,5 Mb
Release : 1998-01-01
Category : Bioinformatics
ISBN : 9780309060790
Author : Ian D. Hickson
Publisher : Springer Science & Business Media
Page : 204 pages
File Size : 41,7 Mb
Release : 1999-06-08
Category : Science
ISBN : 0412131617
Reviews the latest research in the field for researchers and clinicians. After a general introduction to DNA base excision repair, chapters cover uracil DNA glycosylases, repair of oxidized purines in DNA, mammalian mismatch-specific DNA glycosylases, repair of apurinic/apyrimidic sites in DNA by AP endonucleases, mutagenesis of abasic sites, a pro
Author : P. Michael Conn
Publisher : Academic Press
Page : 288 pages
File Size : 42,9 Mb
Release : 2009-01-09
Category : Science
ISBN : 0080923399
Nucleic acids are the fundamental building blocks of DNA and RNA and are found in virtually every living cell. Molecular biology is a branch of science that studies the physicochemical properties of molecules in a cell, including nucleic acids, proteins, and enzymes. Increased understanding of nucleic acids and their role in molecular biology will further many of the biological sciences including genetics, biochemistry, and cell biology. Progress in Nucleic Acid Research and Molecular Biology is intended to bring to light the most recent advances in these overlapping disciplines with a timely compilation of reviews comprising each volume. *Follow the new editor-in-chief, P. Michael Conn, as he introduces this second thematic volume in the series – an in-depth aid to researchers who are looking for the best techniques and tools for understanding the complexities of protein folding *Understand the advantages of protein folding over other therapeutic approaches and see how protein folding plays a critical role in the development of diseases such as Alzheimer’s and diabetes *Decipher the rules of protein folding through compelling and timely reviews combined with chapters written by international authors in engineering, biochemistry, physics and computer science