Recent Developments in Theoretical Studies of Proteins
Recent Developments in Theoretical Studies of Proteins

Author: Ron Elber

Publisher: World Scientific

Published: 1996

Total Pages: 422

ISBN-13: 9789810221966

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Experts provide a unique and broad perspective of the theoretical tools available today to analyze protein structure and function. Topics at the frontier of computational biophysics, such as dynamics and thermodynamics of proteins, reaction path studies, optimization techniques, analytical theories of protein folding, sequence alignment algorithms and electrostatics of proteins are discussed in a pedagogical and complete way. Those entering the field will find the book to be a useful introduction. It will also serve as a complementary text to existing ones that focus on just one of the above subjects.

Computational Chemistry: Reviews Of Current Trends, Vol. 9
Computational Chemistry: Reviews Of Current Trends, Vol. 9

Author: Jerzy Leszczynski

Publisher: World Scientific

Published: 2005-05-30

Total Pages: 258

ISBN-13: 9814481394

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Vast progress in the area of computational chemistry has been achieved in the last decade. Theoretical methods such as quantum mechanics, molecular dynamics and statistical mechanics have been successfully used to characterize chemical systems and to design new materials, drugs and chemicals. The reviews presented in this volume discuss the current advances in computational methodologies and their applications. The areas covered include materials science, nanotechnology, inorganic and biological systems. The major thrust of the book is to bring timely overviews of new findings and methods applied in the rapidly changing field of computational chemistry.

Computational Biochemistry and Biophysics
Computational Biochemistry and Biophysics

Author: Oren M. Becker

Publisher: CRC Press

Published: 2001-02-09

Total Pages: 525

ISBN-13: 0824741404

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Covering theoretical methods and computational techniques in biomolecular research, this book focuses on approaches for the treatment of macromolecules, including proteins, nucleic acids, and bilayer membranes. It uses concepts in free energy calculations, conformational analysis, reaction rates, and transition pathways to calculate and interpret biomolecular properties gleaned from computer-generated membrane simulations. It also demonstrates comparative protein structure modeling, outlines computer-aided drug design, discusses Bayesian statistics in molecular and structural biology, and examines the RISM-SCF/MCSCF approach to chemical processes in solution.

Contemporary Trends in Discrete Mathematics
Contemporary Trends in Discrete Mathematics

Author: Ronald L. Graham

Publisher: American Mathematical Soc.

Published: 1999-01-01

Total Pages: 412

ISBN-13: 9780821885819

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Discrete mathematics stands among the leading disciplines of mathematics and theoretical computer science. This is due primarily to its increasing role in university curriculae and its growing importance in applications ranging from optimization to molecular biology. An inaugural conference was held cooperatively by DIMATIA and DIMACS to focus on the versatility, width, and depth of current progress in the subject area. This volume offers a well-balanced blend of research and survey papers reflecting the exciting, attractive topics in contemporary discrete mathematics. Discussed in the book are topics such as graph theory, partially ordered sets, geometrical Ramsey theory, computational complexity issues and applications.

Molecular Modeling and Simulation: An Interdisciplinary Guide
Molecular Modeling and Simulation: An Interdisciplinary Guide

Author: Tamar Schlick

Publisher: Springer Science & Business Media

Published: 2010-08-03

Total Pages: 757

ISBN-13: 1441963510

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Very broad overview of the field intended for an interdisciplinary audience; Lively discussion of current challenges written in a colloquial style; Author is a rising star in this discipline; Suitably accessible for beginners and suitably rigorous for experts; Features extensive four-color illustrations; Appendices featuring homework assignments and reading lists complement the material in the main text

Computational Chemistry
Computational Chemistry

Author: Jerzy Leszczynski

Publisher: World Scientific

Published: 2005

Total Pages: 260

ISBN-13: 9812560971

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"Vast progress in the area of computational chemistry has been achieved in the last decade. Theoretical methods such as quantum mechanics, molecular dynamics and statistical mechanics have been successfully used to characterize chemical systems and to design new materials, drugs and chemicals. The reviews presented in this volume discuss the current advances in computational methodologies and their applications. The areas covered include materials science, nanotechnology, inorganic and biological systems. The major thrust of the book is to bring timely overviews of new findings and methods applied in the rapidly changing field of computational chemistry."--BOOK JACKET.

Computational Chemistry Methods in Structural Biology
Computational Chemistry Methods in Structural Biology

Author: Christo Christov

Publisher: Academic Press

Published: 2011-09-23

Total Pages: 360

ISBN-13: 0123864852

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Published continuously since 1944, the Advances in Protein Chemistry and Structural Biology serial has been a continuous, essential resource for protein chemists. Covering reviews of methodology and research in all aspects of protein chemistry, including purification/expression, proteomics, modeling and structural determination and design, each volume brings forth new information about protocols and analysis of proteins while presenting the most recent findings from leading experts in a broad range of protein-related topics. This volume features articles on Computational Chemistry methods in Structural Biology. Essential resource for protein chemists This volume features articles on Computational Chemistry methods in Structural Biology

Multiscale Approaches to Protein Modeling
Multiscale Approaches to Protein Modeling

Author: Andrzej Kolinski

Publisher: Springer Science & Business Media

Published: 2010-10-13

Total Pages: 360

ISBN-13: 144196889X

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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.

The Physics of Complex Systems (New Advances and Perspectives)
The Physics of Complex Systems (New Advances and Perspectives)

Author: F. Mallamace

Publisher: IOS Press

Published: 2004-11-24

Total Pages: 638

ISBN-13: 1614990115

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It is widely known that complex systems and complex materials comprise a major interdisciplinary scientific field that draws on mathematics, physics, chemistry, biology, and medicine as well as such social sciences as economics. The role of statistical physics in this new field has been expanding. Statistical physics has shown how phenomena and processes in different research areas that have long been assumed to be unrelated can have a common description. Through the application of statistical physics, methods developed for studying order phenomena in simple systems and processes have been generalized to more complex systems. The two conceptual pillars in this approach are scaling and universality. This volume focuses on recent advances and perspectives in the physics of complex systems and provides both an overview of the field and a more detailed examination of the new ideas and unsolved problems that are currently attracting the attention of researchers. This book should be a useful reference work for anyone interested in this area, whether beginning graduate student or advanced research professional. It provides up-to-date reviews on cutting-edge topics compiled by leading authorities and is designed to both broaden the reader’s competence within their own field and encourage the exploration of new problems in related fields.

Chemistry for the 21st Century
Chemistry for the 21st Century

Author: Ehud Keinan

Publisher: John Wiley & Sons

Published: 2008-07-11

Total Pages: 308

ISBN-13: 3527612955

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Here, numerous winners of the Wolf prize from all chemical disciplines provide an overview of the new ideas and approaches that will shape this dynamic science over the forthcoming decades and so will have a decisive influence on our living conditions. This glimpse of the future is naturally based on the findings granted us by the rapid increase in chemical research during the 20th century. It may be said that a silent "revolution" took place, the positive results of which are still not fully predicted. For example, chemists in research laboratories nowadays are able to develop drugs in increasingly short times to treat diseases once thought incurable. They can design new materials that withstand extreme conditions, and predict the properties of compounds that no one has even seen yet. In this exceptional book those breakthroughs of modern chemistry are illustrated and explained by leading scientists. It stems from the high-quality papers given at the prestigious ceremony to accompany the presentation of the 20th Wolf Prize. It is an extraordinary source for every chemist in industry and academia to get an overview of the highlights of modern chemistry.