Free Energy Computations: A Mathematical Perspective - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Free Energy Computations: A Mathematical Perspective write by Mathias Rousset. This book was released on 2010-06-10. Free Energy Computations: A Mathematical Perspective available in PDF, EPUB and Kindle. This monograph provides a general introduction to advanced computational methods for free energy calculations, from the systematic and rigorous point of view of applied mathematics. Free energy calculations in molecular dynamics have become an outstanding and increasingly broad computational field in physics, chemistry and molecular biology within the past few years, by making possible the analysis of complex molecular systems. This work proposes a new, general and rigorous presentation, intended both for practitioners interested in a mathematical treatment, and for applied mathematicians interested in molecular dynamics./a
Computational Biophysics of Membrane Proteins
Computational Biophysics of Membrane Proteins - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Computational Biophysics of Membrane Proteins write by Carmen Domene. This book was released on 2016-12-05. Computational Biophysics of Membrane Proteins available in PDF, EPUB and Kindle. Exploring current themes in modern computational and membrane protein biophysics, this book is ideal for researchers in computational chemistry and computational biophysics.
Free Energy Calculations
Free Energy Calculations - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Free Energy Calculations write by Christophe Chipot. This book was released on 2007-01-08. Free Energy Calculations available in PDF, EPUB and Kindle. Free energy constitutes the most important thermodynamic quantity to understand how chemical species recognize each other, associate or react. Examples of problems in which knowledge of the underlying free energy behaviour is required, include conformational equilibria and molecular association, partitioning between immiscible liquids, receptor-drug interaction, protein-protein and protein-DNA association, and protein stability. This volume sets out to present a coherent and comprehensive account of the concepts that underlie different approaches devised for the determination of free energies. The reader will gain the necessary insight into the theoretical and computational foundations of the subject and will be presented with relevant applications from molecular-level modelling and simulations of chemical and biological systems. Both formally accurate and approximate methods are covered using both classical and quantum mechanical descriptions. A central theme of the book is that the wide variety of free energy calculation techniques available today can be understood as different implementations of a few basic principles. The book is aimed at a broad readership of graduate students and researchers having a background in chemistry, physics, engineering and physical biology.
Mathematics and Computation
Mathematics and Computation - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Mathematics and Computation write by Avi Wigderson. This book was released on 2019-10-29. Mathematics and Computation available in PDF, EPUB and Kindle. An introduction to computational complexity theory, its connections and interactions with mathematics, and its central role in the natural and social sciences, technology, and philosophy Mathematics and Computation provides a broad, conceptual overview of computational complexity theory—the mathematical study of efficient computation. With important practical applications to computer science and industry, computational complexity theory has evolved into a highly interdisciplinary field, with strong links to most mathematical areas and to a growing number of scientific endeavors. Avi Wigderson takes a sweeping survey of complexity theory, emphasizing the field’s insights and challenges. He explains the ideas and motivations leading to key models, notions, and results. In particular, he looks at algorithms and complexity, computations and proofs, randomness and interaction, quantum and arithmetic computation, and cryptography and learning, all as parts of a cohesive whole with numerous cross-influences. Wigderson illustrates the immense breadth of the field, its beauty and richness, and its diverse and growing interactions with other areas of mathematics. He ends with a comprehensive look at the theory of computation, its methodology and aspirations, and the unique and fundamental ways in which it has shaped and will further shape science, technology, and society. For further reading, an extensive bibliography is provided for all topics covered. Mathematics and Computation is useful for undergraduate and graduate students in mathematics, computer science, and related fields, as well as researchers and teachers in these fields. Many parts require little background, and serve as an invitation to newcomers seeking an introduction to the theory of computation. Comprehensive coverage of computational complexity theory, and beyond High-level, intuitive exposition, which brings conceptual clarity to this central and dynamic scientific discipline Historical accounts of the evolution and motivations of central concepts and models A broad view of the theory of computation's influence on science, technology, and society Extensive bibliography
Free Energy Methods in Drug Discovery
Free Energy Methods in Drug Discovery - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Free Energy Methods in Drug Discovery write by Kira A. Armacost. This book was released on 2021. Free Energy Methods in Drug Discovery available in PDF, EPUB and Kindle. "This book is about Free Energy Methods in Drug Discovery: Current State and Future Directions"--
