Entropy and Free Energy in Structural Biology
Entropy and Free Energy in Structural Biology

Author: Hagai Meirovitch

Publisher: CRC Press

Published: 2020-08-14

Total Pages: 374

ISBN-13: 1000072304

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Computer simulation has become the main engine of development in statistical mechanics. In structural biology, computer simulation constitutes the main theoretical tool for structure determination of proteins and for calculation of the free energy of binding, which are important in drug design. Entropy and Free Energy in Structural Biology leads the reader to the simulation technology in a systematic way. The book, which is structured as a course, consists of four parts: Part I is a short course on probability theory emphasizing (1) the distinction between the notions of experimental probability, probability space, and the experimental probability on a computer, and (2) elaborating on the mathematical structure of product spaces. These concepts are essential for solving probability problems and devising simulation methods, in particular for calculating the entropy. Part II starts with a short review of classical thermodynamics from which a non-traditional derivation of statistical mechanics is devised. Theoretical aspects of statistical mechanics are reviewed extensively. Part III covers several topics in non-equilibrium thermodynamics and statistical mechanics close to equilibrium, such as Onsager relations, the two Fick's laws, and the Langevin and master equations. The Monte Carlo and molecular dynamics procedures are discussed as well. Part IV presents advanced simulation methods for polymers and protein systems, including techniques for conformational search and for calculating the potential of mean force and the chemical potential. Thermodynamic integration, methods for calculating the absolute entropy, and methodologies for calculating the absolute free energy of binding are evaluated. Enhanced by a number of solved problems and examples, this volume will be a valuable resource to advanced undergraduate and graduate students in chemistry, chemical engineering, biochemistry biophysics, pharmacology, and computational biology.

Entropy and Free Energy in Structural Biology
Entropy and Free Energy in Structural Biology

Author: Hagai Meirovitch

Publisher: CRC Press

Published: 2020-08-14

Total Pages: 348

ISBN-13: 1000072320

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Nuclear Structure Physics connects to some of our fundamental questions about the creation of the universe and its basic constituents. At the same time, precise knowledge on the subject has led to the development of many important tools for humankind such as proton therapy and radioactive dating, among others. This book has chapters on some of the crucial and trending research topics in nuclear structure, including the nuclei lying on the extremes of spin, isospin and mass. A better theoretical understanding of these topics is important beyond the confines of the nuclear structure community. Additionally, the book will showcase the applicability and success of the different nuclear effective interaction parameters near the drip line, where hints for level reordering have already been seen, and where one can test the isospin-dependence of the interaction. The book offers comprehensive coverage of the most essential topics, including: • Nuclear Structure of Nuclei at or Near Drip-Lines • Synthesis challenges and properties of Superheavy nuclei • Nuclear Structure and Nuclear models - Ab-initio calculations, cluster models, Shell-model/DSM, RMF, Skyrme • Shell Closure, Magicity and other novel features of nuclei at extremes • Structure of Toroidal, Bubble Nuclei, halo and other exotic nuclei These topics are not only very interesting from a theoretical nuclear physics perspective but are also quite complimentary for ongoing nuclear physics experimental programs worldwide. The book chapters, written by experienced and well-known researchers/experts, will be helpful for master students, graduate students and researchers and serve as a standard and up-to-date research reference book on the topics covered.

Biomolecular Thermodynamics
Biomolecular Thermodynamics

Author: Douglas Barrick

Publisher: CRC Press

Published: 2017-09-11

Total Pages: 553

ISBN-13: 131536302X

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"an impressive text that addresses a glaring gap in the teaching of physical chemistry, being specifically focused on biologically-relevant systems along with a practical focus.... the ample problems and tutorials throughout are much appreciated." –Tobin R. Sosnick, Professor and Chair of Biochemistry and Molecular Biology, University of Chicago "Presents both the concepts and equations associated with statistical thermodynamics in a unique way that is at visual, intuitive, and rigorous. This approach will greatly benefit students at all levels." –Vijay S. Pande, Henry Dreyfus Professor of Chemistry, Stanford University "a masterful tour de force.... Barrick's rigor and scholarship come through in every chapter." –Rohit V. Pappu, Edwin H. Murty Professor of Engineering, Washington University in St. Louis This book provides a comprehensive, contemporary introduction to developing a quantitative understanding of how biological macromolecules behave using classical and statistical thermodynamics. The author focuses on practical skills needed to apply the underlying equations in real life examples. The text develops mechanistic models, showing how they connect to thermodynamic observables, presenting simulations of thermodynamic behavior, and analyzing experimental data. The reader is presented with plenty of exercises and problems to facilitate hands-on learning through mathematical simulation. Douglas E. Barrick is a professor in the Department of Biophysics at Johns Hopkins University. He earned his Ph.D. in biochemistry from Stanford University, and a Ph.D. in biophysics and structural biology from the University of Oregon.

Biology for AP ® Courses
Biology for AP ® Courses

Author: Julianne Zedalis

Publisher:

Published: 2017-10-16

Total Pages: 1923

ISBN-13: 9781947172401

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Biology for AP® courses covers the scope and sequence requirements of a typical two-semester Advanced Placement® biology course. The text provides comprehensive coverage of foundational research and core biology concepts through an evolutionary lens. Biology for AP® Courses was designed to meet and exceed the requirements of the College Board’s AP® Biology framework while allowing significant flexibility for instructors. Each section of the book includes an introduction based on the AP® curriculum and includes rich features that engage students in scientific practice and AP® test preparation; it also highlights careers and research opportunities in biological sciences.

Fundamentals of Molecular Structural Biology
Fundamentals of Molecular Structural Biology

Author: Subrata Pal

Publisher: Academic Press

Published: 2019-08-15

Total Pages: 518

ISBN-13: 0128148551

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Fundamentals of Molecular Structural Biology reviews the mathematical and physical foundations of molecular structural biology. Based on these fundamental concepts, it then describes molecular structure and explains basic genetic mechanisms. Given the increasingly interdisciplinary nature of research, early career researchers and those shifting into an adjacent field often require a "fundamentals" book to get them up-to-speed on the foundations of a particular field. This book fills that niche.

The Logic of Life
The Logic of Life

Author: François Jacob

Publisher: Princeton University Press

Published: 1993-05-09

Total Pages: 360

ISBN-13: 0691000425

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In The Logic of Life François Jacob looks at the way our understanding of biology has changed since the sixteenth century. He describes four fundamental turning points in the perception of the structure of living things: the discoveries of the functions of organs, cells, chromosomes and genes, and DNA.

Research in Computational Molecular Biology
Research in Computational Molecular Biology

Author: Terence Terry Speed

Publisher: Springer Science & Business Media

Published: 2007-04-05

Total Pages: 565

ISBN-13: 3540716807

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This book constitutes the refereed proceedings of the 11th Annual International Conference on Research in Computational Molecular Biology, RECOMB 2007, held in Oakland, CA, USA in April 2007. The 37 revised full papers address all current issues in algorithmic, theoretical, and experimental bioinformatics.

Structural Genomics and High Throughput Structural Biology
Structural Genomics and High Throughput Structural Biology

Author: Michael Sundstrom

Publisher: CRC Press

Published: 2005-08-23

Total Pages: 304

ISBN-13: 0849361435

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Researchers in structural genomics continue to search for biochemical and cellular functions of proteins as well as the ways in which proteins assemble into functional pathways and networks using either experimental or computational approaches. Based on the experience of leading international experts, Structural Genomics and High Throughput Stru

Protein Stability
Protein Stability

Author: David S. Eisenberg

Publisher:

Published: 1995

Total Pages: 334

ISBN-13: 9780120342464

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The topics covered by this volume include: protein destabilization at low temperatures; engineering the stability and function of Gene V Protein; free energy balance in protein folding; modelling protein stability as a heteropolymer collapse; stability of alpha helices; protein stability with T4 Lysozyme.

Biological Thermodynamics
Biological Thermodynamics

Author: Donald T. Haynie

Publisher: Cambridge University Press

Published: 2008-02-14

Total Pages: 369

ISBN-13: 1139470892

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This inter-disciplinary guide to the thermodynamics of living organisms has been thoroughly revised and updated to provide a uniquely integrated overview of the subject. Retaining its highly readable style, it will serve as an introduction to the study of energy transformation in the life sciences and particularly as an accessible means for biology, biochemistry and bioengineering undergraduate students to acquaint themselves with the physical dimension of their subject. The emphasis throughout the text is on understanding basic concepts and developing problem-solving skills. The mathematical difficulty increases gradually by chapter, but no calculus is required. Topics covered include energy and its transformation, the First Law of Thermodynamics, Gibbs free energy, statistical thermodynamics, binding equilibria and reaction kinetics. Each chapter comprises numerous illustrative examples taken from different areas of biochemistry, as well as a broad range of exercises and references for further study.