Lectures On Statistical Physics And Protein Folding

Lectures On Statistical Physics And Protein Folding
Author: Kerson Huang
Publisher: World Scientific
Total Pages: 159
Release: 2005-05-30
Genre: Science
ISBN: 9814481068

This book introduces an approach to protein folding from the point of view of kinetic theory. There is an abundance of data on protein folding, but few proposals are available on the mechanism driving the process. Here, presented for the first time, are suggestions on possible research directions, as developed by the author in collaboration with C C Lin.The first half of this invaluable book contains a concise but relatively complete review of relevant topics in statistical mechanics and kinetic theory. It includes standard topics such as thermodynamics, the Maxwell-Boltzmann distribution, and ensemble theory. Special discussions include the dynamics of phase transitions, and Brownian motion as an illustration of stochastic processes.The second half develops topics in molecular biology and protein structure, with a view to discovering mechanisms underlying protein folding. Attention is focused on the energy flow through the protein in its folded state. A mathematical model, based on the Brownian motion of coupled harmonic oscillators, is worked out in the appendix.

Protein Interactions

Protein Interactions
Author: Volkhard Helms
Publisher: John Wiley & Sons
Total Pages: 436
Release: 2022-11-08
Genre: Science
ISBN: 3527830529

Protein Interactions A fundamental guide to the burgeoning field of protein interactions From enzymes to transcription factors to cell membrane receptors, proteins are at the heart of biological cell function. Virtually all cellular processes are governed by their interactions, with one another, with cell bodies, with DNA, or with small molecules. The systematic study of these interactions is called Interactomics, and research within this new field promises to shape the future of molecular cell biology. Protein Interactions goes beyond any existing guide to protein interactions, presenting the first truly comprehensive overview of the field. Edited by two leading scholars in the field of protein bioinformatics, this book covers all known categories of protein interaction, stable as well as transient, as well as the effect of mutations and post-translational modifications on the interaction behavior. Protein Interactions readers will also find: Introductory chapters on protein structure, conformational dynamics, and protein-protein binding interfaces A data-driven approach incorporating machine learning and integrating experimental data into computational models An outlook on the current challenges in the field and suggestions for future research Protein Interactions will serve as a fundamental resource for novice researchers who want a systematic introduction to interactomics, as well as for experienced cell biologists and bioinformaticians who want to gain an edge in this exciting new field.

An Introduction to Markov State Models and Their Application to Long Timescale Molecular Simulation

An Introduction to Markov State Models and Their Application to Long Timescale Molecular Simulation
Author: Gregory R. Bowman
Publisher: Springer Science & Business Media
Total Pages: 148
Release: 2013-12-02
Genre: Science
ISBN: 9400776063

The aim of this book volume is to explain the importance of Markov state models to molecular simulation, how they work, and how they can be applied to a range of problems. The Markov state model (MSM) approach aims to address two key challenges of molecular simulation: 1) How to reach long timescales using short simulations of detailed molecular models. 2) How to systematically gain insight from the resulting sea of data. MSMs do this by providing a compact representation of the vast conformational space available to biomolecules by decomposing it into states sets of rapidly interconverting conformations and the rates of transitioning between states. This kinetic definition allows one to easily vary the temporal and spatial resolution of an MSM from high-resolution models capable of quantitative agreement with (or prediction of) experiment to low-resolution models that facilitate understanding. Additionally, MSMs facilitate the calculation of quantities that are difficult to obtain from more direct MD analyses, such as the ensemble of transition pathways. This book introduces the mathematical foundations of Markov models, how they can be used to analyze simulations and drive efficient simulations, and some of the insights these models have yielded in a variety of applications of molecular simulation.

Statistical and Thermal Physics

Statistical and Thermal Physics
Author: Harvey Gould
Publisher: Princeton University Press
Total Pages: 526
Release: 2021-09-14
Genre: Computers
ISBN: 0691201897

This revised and expanded edition of Statistical and Thermal Physics introduces students to the essential ideas and techniques used in many areas of contemporary physics. Ready-to-run programs help make the many abstract concepts concrete. The text requires only a background in introductory mechanics and some basic ideas of quantum theory, discussing material typically found in undergraduate texts as well as topics such as fluids, critical phenomena, and computational techniques, which serve as a natural bridge to graduate study. --

Computational Methods for Macromolecules: Challenges and Applications

Computational Methods for Macromolecules: Challenges and Applications
Author: Tamar Schlick
Publisher: Springer Science & Business Media
Total Pages: 504
Release: 2012-12-06
Genre: Mathematics
ISBN: 3642560806

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.

Coarse-Grained Modeling of Biomolecules

Coarse-Grained Modeling of Biomolecules
Author: Garegin A. Papoian
Publisher: CRC Press
Total Pages: 399
Release: 2017-10-30
Genre: Science
ISBN: 1315356708

"The chapters in this book survey the progress in simulating biomolecular dynamics.... The images conjured up by this work are not yet universally loved, but are beginning to bring new insights into the study of biological structure and function. The future will decide whether this scientific movement can bring forth its Picasso or Modigliani." –from the Foreword by Peter G. Wolynes, Bullard-Welch Foundation Professor of Science, Rice University This book highlights the state-of-art in coarse-grained modeling of biomolecules, covering both fundamentals as well as various cutting edge applications. Coarse-graining of biomolecules is an area of rapid advances, with numerous new force fields having appeared recently and significant progress made in developing a systematic theory of coarse-graining. The contents start with first fundamental principles based on physics, then survey specific state-of-art coarse-grained force fields of proteins and nucleic acids, and provide examples of exciting biological problems that are at large scale, and hence, only amenable to coarse-grained modeling. Introduces coarse-grained models of proteins and nucleic acids. Showcases applications such as genome packaging in nuclei and understanding ribosome dynamics Gives the physical foundations of coarse-graining Demonstrates use of models for large-scale assemblies in modern studies Garegin A. Papoian is the first Monroe Martin Associate Professor with appointments in the Department of Chemistry and Biochemistry and the Institute for Physical Science and Technology at the University of Maryland.

Principles and Practice of Constraint Programming

Principles and Practice of Constraint Programming
Author: Peter J. Stuckey
Publisher: Springer Science & Business Media
Total Pages: 662
Release: 2008-08-28
Genre: Computers
ISBN: 3540859578

This volume contains the proceedings of the 14th International Conference on Principles and Practice of Constraint Programming (CP 2008) held in Sydney, Australia, September 14–18, 2008. The conference was held in conjunction with the International Conference on Automated Planning and Scheduling (ICAPS 2008) and the International Conference on Knowledge Representation and R- soning (KR 2008). Information about the conference can be found at the w- sitehttp://www. unimelb. edu. au/cp2008/. Held annually, the CP conference series is the premier international conference on constraint programming. The conference focuses on all aspects of computing with constraints. The CP conf- ence series is organized by the Association for Constraint Programming (ACP). Information about the conferences in the series can be found on the Web at http://www. cs. ualberta. ca/~ai/cp/. Information about ACP can be found athttp://www. a4cp. org/. CP 2008 included two calls for contributions: a call for research papers, - scribing novel contributions in the ?eld, and a call for application papers, - scribing applications of constraint technology. For the ?rst time authors could directly submit short papers for consideration by the committee. The research track received 84 long submissions and 21 short submissions and the application track received 15 long submissions. Each paper received at least three reviews, which the authors had the opportunity to see and to react to, before the papers and their reviews were discussed extensively by the members of the Program Committee.

Phase Transitions in Combinatorial Optimization Problems

Phase Transitions in Combinatorial Optimization Problems
Author: Alexander K. Hartmann
Publisher: John Wiley & Sons
Total Pages: 360
Release: 2006-05-12
Genre: Science
ISBN: 3527606866

A concise, comprehensive introduction to the topic of statistical physics of combinatorial optimization, bringing together theoretical concepts and algorithms from computer science with analytical methods from physics. The result bridges the gap between statistical physics and combinatorial optimization, investigating problems taken from theoretical computing, such as the vertex-cover problem, with the concepts and methods of theoretical physics. The authors cover rapid developments and analytical methods that are both extremely complex and spread by word-of-mouth, providing all the necessary basics in required detail. Throughout, the algorithms are shown with examples and calculations, while the proofs are given in a way suitable for graduate students, post-docs, and researchers. Ideal for newcomers to this young, multidisciplinary field.

Logic Programming

Logic Programming
Author: Maurizio Gabbrielli
Publisher: Springer Science & Business Media
Total Pages: 466
Release: 2005-09-19
Genre: Computers
ISBN: 354029208X

This book constitutes the refereed proceedings of the 21st International Conference on Logic and Programming, ICLP 2005, held in Barcelona, Spain, in October 2005. The 25 revised full papers and 15 revised poster papers presented together with 4 invited papers and 7 abstracts of a poster session of a doctoral consortium were carefully reviewed and selected from 104 submissions. The papers cover all issues of current research in logic programming. Extra attention is given to novel applications of logic programming and work providing novel integrations of different areas.

Bioinformatics for Diagnosis, Prognosis and Treatment of Complex Diseases

Bioinformatics for Diagnosis, Prognosis and Treatment of Complex Diseases
Author: Bairong Shen
Publisher: Springer Science & Business Media
Total Pages: 219
Release: 2013-11-25
Genre: Science
ISBN: 9400779755

The book introduces the bioinformatics tools, databases and strategies for the translational research, focuses on the biomarker discovery based on integrative data analysis and systems biological network reconstruction. With the coming of personal genomics era, the biomedical data will be accumulated fast and then it will become reality for the personalized and accurate diagnosis, prognosis and treatment of complex diseases. The book covers both state of the art of bioinformatics methodologies and the examples for the identification of simple or network biomarkers. In addition, bioinformatics software tools and scripts are provided to the practical application in the study of complex diseases. The present state, the future challenges and perspectives were discussed. The book is written for biologists, biomedical informatics scientists and clinicians, etc. Dr. Bairong Shen is Professor and Director of Center for Systems Biology, Soochow University; he is also Director of Taicang Center for Translational Bioinformatics.