Entropy and Free Energy in Structural Biology

Entropy and Free Energy in Structural Biology
Author :
Publisher : CRC Press
Total Pages : 374
Release :
ISBN-10 : 9781000072303
ISBN-13 : 1000072304
Rating : 4/5 (304 Downloads)

Book Synopsis Entropy and Free Energy in Structural Biology by : Hagai Meirovitch

Download or read book Entropy and Free Energy in Structural Biology written by Hagai Meirovitch and published by CRC Press. This book was released on 2020-08-14 with total page 374 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 Related Books

Entropy and Free Energy in Structural Biology
Language: en
Pages: 374
Authors: Hagai Meirovitch
Categories: Computers
Type: BOOK - Published: 2020-08-14 - Publisher: CRC Press

GET EBOOK

Computer simulation has become the main engine of development in statistical mechanics. In structural biology, computer simulation constitutes the main theoreti
Entropy and Free Energy in Structural Biology
Language: en
Pages: 348
Authors: Hagai Meirovitch
Categories: Computers
Type: BOOK - Published: 2020-08-14 - Publisher: CRC Press

GET EBOOK

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
Biology for AP ® Courses
Language: en
Pages: 1923
Authors: Julianne Zedalis
Categories: Biology
Type: BOOK - Published: 2017-10-16 - Publisher:

GET EBOOK

Biology for AP® courses covers the scope and sequence requirements of a typical two-semester Advanced Placement® biology course. The text provides comprehensi
Fundamentals of Molecular Structural Biology
Language: en
Pages: 518
Authors: Subrata Pal
Categories: Science
Type: BOOK - Published: 2019-08-15 - Publisher: Academic Press

GET EBOOK

Fundamentals of Molecular Structural Biology reviews the mathematical and physical foundations of molecular structural biology. Based on these fundamental conce
Entropy and Free Energy in Structural Biology
Language: en
Pages: 374
Authors: Hagai Meirovitch
Categories:
Type: BOOK - Published: 2022-04 - Publisher: CRC Press

GET EBOOK

Computer simulation has become the main engine of development in statistical mechanics. In structural biology, computer simulation constitutes the main theoreti