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Author: Leif A. Eriksson Publisher: Elsevier ISBN: 0080542700 Category : Science Languages : en Pages : 719
Book Description
Theoretical chemistry has been an area of tremendous expansion and development over the past decade; from an approach where we were able to treat only a few atoms quantum mechanically or make fairly crude molecular dynamics simulations, into a discipline with an accuracy and predictive power that has rendered it an essential complementary tool to experiment in basically all areas of science. This volume gives a flavour of the types of problems in biochemistry that theoretical calculations can solve at present, and illustrates the tremendous predictive power these approaches possess.A wide range of computational approaches, from classical MD and Monte Carlo methods, via semi-empirical and DFT approaches on isolated model systems, to Car-Parinello QM-MD and novel hybrid QM/MM studies are covered. The systems investigated also cover a broad range; from membrane-bound proteins to various types of enzymatic reactions as well as inhibitor studies, cofactor properties, solvent effects, transcription and radiation damage to DNA.
Author: Leif A. Eriksson Publisher: Elsevier ISBN: 0080542700 Category : Science Languages : en Pages : 719
Book Description
Theoretical chemistry has been an area of tremendous expansion and development over the past decade; from an approach where we were able to treat only a few atoms quantum mechanically or make fairly crude molecular dynamics simulations, into a discipline with an accuracy and predictive power that has rendered it an essential complementary tool to experiment in basically all areas of science. This volume gives a flavour of the types of problems in biochemistry that theoretical calculations can solve at present, and illustrates the tremendous predictive power these approaches possess.A wide range of computational approaches, from classical MD and Monte Carlo methods, via semi-empirical and DFT approaches on isolated model systems, to Car-Parinello QM-MD and novel hybrid QM/MM studies are covered. The systems investigated also cover a broad range; from membrane-bound proteins to various types of enzymatic reactions as well as inhibitor studies, cofactor properties, solvent effects, transcription and radiation damage to DNA.
Author: Robert J. Rosen Publisher: Academic Press ISBN: 1483219305 Category : Science Languages : en Pages : 229
Book Description
Progress in Theoretical Biology, Volume 6 covers the theoretical analysis of biological phenomena. The book discusses the potentials in chemical systems far from thermodynamic equilibrium, particularly the reduction of reaction-diffusion systems to catastrophe theory; and a form of logic suited for biology. The text describes the order-disorder transitions in polyelectrolytes and the chaos in systems in population biology. An artificial cognitive-plus-motivational system and pattern generation in networks are also encompassed. Biophysicists and physiologists will find the book invaluable.
Author: Thomas A.C. Reydon Publisher: Springer Science & Business Media ISBN: 9781402029011 Category : Mathematics Languages : en Pages : 326
Book Description
This book originated as a Festschrift to mark the publication of Volume 50 of the journal `Acta Biotheoretica' in 2002 and the journal’s 70th anniversary in 2005. In it, eleven previously unpublished research papers have been collected that reflect the entire scope of topics on which `Acta Biotheoretica' publishes. `Acta Biotheoretica' is a journal on theoretical biology, published by Kluwer Academic Publishers, that has its roots in the Dutch tradition of theoretical biology. From the perspective of this tradition, theoretical biology is understood as encompassing a broad spectrum of disciplines ranging from mathematical biology to philosophy of biology. To reflect the Dutch roots of the journal, all papers have been invited from authors that work in The Netherlands. This book is aimed at an audience of theoretical and mathematical biologists, philosophers of biology and philosophers of science, and biologists in general.
Author: Daniel S. Brooks Publisher: MIT Press ISBN: 0262045338 Category : Technology & Engineering Languages : en Pages : 337
Book Description
Scientific philosophers examine the nature and significance of levels of organization, a core structural principle in the biological sciences. This volume examines the idea of levels of organization as a distinct object of investigation, considering its merits as a core organizational principle for the scientific image of the natural world. It approaches levels of organization--roughly, the idea that the natural world is segregated into part-whole relationships of increasing spatiotemporal scale and complexity--in terms of its roles in scientific reasoning as a dynamic, open-ended idea capable of performing multiple overlapping functions in distinct empirical settings. The contributors--scientific philosophers with longstanding ties to the biological sciences--discuss topics including the philosophical and scientific contexts for an inquiry into levels; whether the concept can actually deliver on its organizational promises; the role of levels in the development and evolution of complex systems; conditional independence and downward causation; and the extension of the concept into the sociocultural realm. Taken together, the contributions embrace the diverse usages of the term as aspects of the big picture of levels of organization. Contributors Jan Baedke, Robert W. Batterman, Daniel S. Brooks, James DiFrisco, Markus I. Eronen, Carl Gillett, Sara Green, James Griesemer, Alan C. Love, Angela Potochnik, Thomas Reydon, Ilya Tëmkin, Jon Umerez, William C. Wimsatt, James Woodward
Author: C. Párkányi Publisher: Elsevier ISBN: 0080542727 Category : Science Languages : en Pages : 637
Book Description
This volume is devoted to the various aspects of theoretical organic chemistry. In the nineteenth century, organic chemistry was primarily an experimental, empirical science. Throughout the twentieth century, the emphasis has been continually shifting to a more theoretical approach. Today, theoretical organic chemistry is a distinct area of research, with strong links to theoretical physical chemistry, quantum chemistry, computational chemistry, and physical organic chemistry.The objective in this volume has been to provide a cross-section of a number of interesting topics in theoretical organic chemistry, starting with a detailed account of the historical development of this discipline and including topics devoted to quantum chemistry, physical properties of organic compounds, their reactivity, their biological activity, and their excited-state properties.
Author: Brian C. Goodwin Publisher: ISBN: 9780801845192 Category : Science Languages : en Pages : 0
Book Description
How does complexity of development, structure, and function of organisms emerge from the relative simplicity of biochemistry and genetics? In Theoretical Biology, Brian Goodwin and Peter Saunders bring together a distinguished group of contributors to provide a broad-based yet coherent inquiry into biological processes. In the spirit of C. H. Waddington's Towards a Theoretical Biology, the authors seek to establish the generative principles that apply throughout the field of biology to give a unifying logical structure to diverse empirical phenomena. Major topics include self-organization in complex systems; order and adaptability in genetic networks; development and evolution; and the relevance of physics and mathematics to biology.
Author: Perla Balbuena Publisher: Elsevier ISBN: 0080536840 Category : Science Languages : en Pages : 971
Book Description
The latest developments in quantum and classical molecular dynamics, related techniques, and their applications to several fields of science and engineering. Molecular simulations include a broad range of methodologies such as Monte Carlo, Brownian dynamics, lattice dynamics, and molecular dynamics (MD).Features of this book:• Presents advances in methodologies, introduces quantum methods and lists new techniques for classical MD• Deals with complex systems: biomolecules, aqueous solutions, ice and clathrates, liquid crystals, polymers• Provides chemical reactions, interfaces, catalysis, surface phenomena and solidsAlthough the book is not formally divided into methods and applications, the chapters are arranged starting with those that discuss new algorithms, methods and techniques, followed by several important applications.
Author: Paola Lecca Publisher: CRC Press ISBN: 1351374311 Category : Medical Languages : en Pages : 105
Book Description
Quantum physics provides the concepts and their mathematical formalization that lend themselves to describe important properties of biological networks topology, such as vulnerability to external stress and their dynamic response to changing physiological conditions. A theory of networks enhanced with mathematical concepts and tools of quantum physics opens a new area of biological physics, the one of systems biological physics.
Author: Leif A. Eriksson
Author: Leif A. Eriksson
Author: Robert J. Rosen
Author: Thomas A.C. Reydon
Author: Daniel S. Brooks
Author: Jerome Alexander
Author: C. Párkányi
Author: Brian C. Goodwin
Author: David L. Beveridge
Author: Perla Balbuena
Author: Paola Lecca