Sign-In
Cart
Entropy and Free Energy in Structural Biology: From Thermodynamics to Statistical Mechanics to Computer Simulation
Paperback
Series: Foundations of Biochemistry and Biophysics
BiologyGeneral ComputersPhysics
ISBN13: 9780367427450
Publisher: CRC Press
Published: Apr 1 2022
Pages: 396
Weight: 1.52
Height: 0.82 Width: 7.00 Depth: 10.00
Language: English
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.
1 different editions
Also available
Entropy and Free Energy in Structural Biology: From Thermodynamics to Statistical Mechanics to Computer Simulation
Meirovitch, Hagai
Hardcover
Also in
Physics
The Formative Years of Relativity: The History and Meaning of Einstein's Princeton Lectures
Gutfreund, Hanoch
Renn, Jürgen
Hardcover
How It All Works: All Scientific Laws and Phenomena Illustrated & Demonstrated
Dant, Adam
Clegg, Brian
Hardcover
Feynman's Lost Lecture: The Motion of Planets Around the Sun [With CDROM]
Goodstein, David L.
Paperback
Lost in Space: 5,000 Facts for Navigating the Universe
Walker, Lindsey Nyx
Tyson, Neil Degrasse
Hardcover
The Edge of Space-Time: Particles, Poetry, and the Cosmic Dream Boogie
Prescod-Weinstein, Chanda
Hardcover
5 Steps to a 5: AP Physics 1 2027: Practice AP Tests + AP Content Review + Digital Exams
Jacobs, Greg
Paperback
Beyond Darwin: How Epigenetics, Quantum Science, and Cooperation Shape Humanity's Future
Lipton, Bruce H.
Hardcover
What If? 10th Anniversary Edition: Serious Scientific Answers to Absurd Hypothetical Questions
Munroe, Randall
Hardcover
Just Visiting This Planet, Revised and Updated for the Twenty-First Century: Further Scientific Adventures of Merlin from Omniscia
Tyson, Neil Degrasse
Hardcover
Astronomy 101, 2nd Edition: From Gravitational Waves and Merging Black Holes to New Exoplanets and Asteroid Samples, Key Theories, Discoveries, and Fa
Petersen, Carolyn Collins
Hardcover
My Big TOE Awakening Discovery Inner Workings: The Complete My Big TOE Trilogy Unifying Philosophy, Physics and Metaphysics
Campbell, Thomas
Hardcover
Six Easy Pieces: Essentials of Physics Explained by Its Most Brilliant Teacher
Feynman, Richard P.
Leighton, Robert B.
Sands, Matthew
Paperback
Time's Second Arrow: Evolution, Order, and a New Law of Nature
Wong, Michael L.
Hazen, Robert M.
Hardcover
Princeton Review AP Physics 1 Premium Prep, 13th Edition: 5 Practice Tests + Digital Practice Online + Content Review
The Princeton Review
Paperback
What If? 2: Additional Serious Scientific Answers to Absurd Hypothetical Questions
Munroe, Randall
Hardcover
A New Science of Heaven: How the New Science of Plasma Physics Is Shedding Light on Spiritual Experience
Temple, Robert
Paperback
Take Me to Your Leader: Perspectives on Your First Alien Encounter (Large Print Edition)
Tyson, Neil DeGrasse
Hardcover
AP Physics 1 Premium, 2027: Prep Book with 4 Practice Tests + Comprehensive Review + Online Practice
Rideout, Kenneth, M. S.
Wolf, Jonathan, M. a. Ed M.
Paperback
The Disordered Cosmos: A Journey Into Dark Matter, Spacetime, and Dreams Deferred
Prescod-Weinstein, Chanda
Paperback
American Prometheus (Pulitzer Prize Winner): The Inspiration for the Major Motion Picture Oppenheimer
Bird, Kai
Sherwin, Martin J.
Paperback
Strange Angel: The Otherworldly Life of Rocket Scientist John Whiteside Parsons
Pendle, George
Paperback
James Webb's Ancient Cosmos: A Journey to the Beginning of Time
Wild, Sarah
Phd Aderin, Maggie
Hardcover
The Rife Method Manual: 1,000+ Essential Rife Frequencies from A to Z and How to Use Them Safely and Effectively
Harkness, Aaron
Paperback
The Black Book of Manifestation: Hidden Secrets & Forbidden Techniques to Shape Your Reality
Sharma, Sagar
Paperback
Graph Paper Notebook 1/4 inch squares: Graph Paper Composition Book For Children and Women 8 x 10 inch, 122 Pages
Warren, Leann S.
Paperback
Do Aliens Speak Physics?: And Other Questions about Science and the Nature of Reality
Whiteson, Daniel
Warner, Andy
Hardcover
Introduction to Live Sound Reinforcement: The Science, the Art, and the Practice
Boyce, Teddy
Paperback
The Montauk Project - Experiments in Time: Silver Anniversary Edition
Moon, Peter
Nichols, Preston B.
Paperback
From Shiva to Schrödinger: Unravelling Cosmic Secrets with Trika Shaivism & Quantum Insights
Majumdar, Mrittunjoy Guha
Paperback
Quantum Physics and Higher Consciousness: Unlocking the Mysteries of Reality and Awakening Your Inner Power
Silva, Mari
Hardcover
Zinn and the Art of Mountain Bike Maintenance, 7th Edition: The World's Best-Selling Guide to Mountain Bike Repair
Zinn, Lennard
Paperback
The Tao of Physics: An Exploration of the Parallels Between Modern Physics and Eastern Mysticism
Capra, Fritjof
Paperback
Zinn & the Art of Road Bike Maintenance, 6th Edition: The World's Best-Selling Bicycle Repair and Maintenance Guide
Zinn, Lennard
Paperback
Why Nobody Understands Quantum Physics: The Story of the Science That Shapes Our World
Broeckaert, Céline
Verstraete, Frank
Hardcover
Ways of Being: Animals, Plants, Machines: The Search for a Planetary Intelligence
Bridle, James
Paperback
My Big TOE Awakening Discovery Inner Workings: The Complete My Big TOE Trilogy Unifying Philosophy, Physics, and Metaphysics
Campbell, Thomas
Paperback
Quantum Mechanics Done Right: The Shortest Path from Novice to Researcher
Freericks, James K.
Hardcover
A Brief Welcome to the Universe: A Pocket-Sized Tour
Strauss, Michael A.
Tyson, Neil Degrasse
Gott, J. Richard
Paperback
Smithsonian Atlas of Space: A Map to the Universe from the Big Bang to the Future
Launius, Roger D.
Hardcover
The Elegant Universe: Superstrings, Hidden Dimensions, and the Quest for the Ultimate Theory
Greene, Brian
Paperback
Welcome to the Universe: An Astrophysical Tour
Gott, J. Richard
Tyson, Neil Degrasse
Strauss, Michael A.
Hardcover
Six Not-So-Easy Pieces: Einstein's Relativity, Symmetry, and Space-Time
Feynman, Richard P.
Leighton, Robert B.
Sands, Matthew
Paperback
Do Your Ears Pop in Space? and 500 Other Surprising Questions about Space Travel
Mullane, R. Mike
Paperback
The Montauk Project - Experiments in Time: Silver Anniversary Edition
Nichols, Preston B.
Moon, Peter
Hardcover
The Theoretical Minimum: What You Need to Know to Start Doing Physics
Hrabovsky, George
Susskind, Leonard
Paperback
Cosmos and Transcendence: Breaking Through the Barrier of Scientistic Belief
Smith, Wolfgang
Paperback
Fundamentals of Astrodynamics: Second Edition
White, Jerry E.
Bate, Roger R.
Mueller, Donald D.
Paperback
The Autobiography of Nikola Tesla and Other Works (Deluxe Leatherbound Edition)
Martin, Thomas Commerford
Tesla, Nikola
Hardcover
The Fabric of Reality: The Science of Parallel Universes--And Its Implications
Deutsch, David
Paperback
Unseen Universe: Space as You've Never Seen It Before from the James Webb Space Telescope
Harper, Caroline
Hardcover
Time Travel in Einstein's Universe: The Physical Possibilities of Travel Through Time
Gott, J. Richard
Paperback
Alchemy of Nine Dimensions: Activating the Full Spectrum of Consciousness
Clow, Barbara Hand
Paperback
Regents Exams and Answers Physical Science Physics Fourth Edition (Barron's New York Regents)
Lazar, Miriam, M. S. Ed
Paperback
Fantastic Numbers and Where to Find Them: A Journey to the Edge of Physics
Padilla, Antonio
Paperback
Let's Review Regents: Physical Science- Physics, Seventh Edition (Barron's NY Regents)
Lazar, Miriam A., M. S.
Tarendash, Albert, M. S.
Paperback
Signals from the Subatomic World: How to Build a Proton Precession Magnetometer
Hollos, Stefan
Hollos, Richard
Paperback
Rocket Dreams: Musk, Bezos, and the Inside Story of the New, Trillion-Dollar Space Race
Davenport, Christian
Hardcover
AP Physics C Premium, Eighth Edition: 4 Practice Tests + Comprehensive Review + Online Practice (2026)
Pelcovits, Robert A., PH. D.
Farkas, Joshua, M. D.
Paperback
Cosmic Queries: Startalk's Guide to Who We Are, How We Got Here, and Where We're Going
Tyson, Neil Degrasse
Hardcover
Collisions: A Physicist's Journey from Hiroshima to the Death of the Dinosaurs
Nevala-Lee, Alec
Hardcover
Analytic Idealism in a Nutshell: A Straightforward Summary of the 21st Century's Only Plausible Metaphysics
Kastrup, Bernardo
Paperback
Sounds Wild and Broken: Sonic Marvels, Evolution's Creativity, and the Crisis of Sensory Extinction
Haskell, David George
Paperback
The One Thing You Need to Know: The Simple Way to Understand the Most Important Ideas in Science
Chown, Marcus
Paperback
The Sound Atlas: A Guide to Strange Sounds Across Landscapes and Imagination
Vieser, Michaela
Yuen, Isaac
Hardcover
Relativity: The Special and the General Theory - 100th Anniversary Edition
Einstein, Albert
Paperback
Scale: The Universal Laws of Life, Growth, and Death in Organisms, Cities, and Companies
West, Geoffrey
Paperback
Princeton Review AP Physics C Premium Prep, 19th Edition: 4 Practice Tests + Digital Practice Online + Content Review
The Princeton Review
Paperback
Too Big for a Single Mind: How the Greatest Generation of Physicists Uncovered the Quantum World
Hürter, Tobias
Paperback
Special Relativity and Classical Field Theory: The Theoretical Minimum
Susskind, Leonard
Friedman, Art
Paperback
Until the End of Time: Mind, Matter, and Our Search for Meaning in an Evolving Universe
Greene, Brian
Paperback