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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: 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: Wilhelmina A. Leigh Publisher: Routledge ISBN: 1351490834 Category : Science Languages : en Pages : 541
Book Description
The purpose of this volume is to bring together a number of elements that would be useful in the construction of a coherent and comprehensive theory of biology. Based on the assumption that living systems represent some kind of "organized complexity," the collection discusses meaningful ways of formulating two basic questions: what is the nature of this complexity; and, what are the principles of its organization? The question always asked about biological theory is whether or not it constitutes useful scientific theory. Because many useful biological theories cannot yet be made explicit in terms of conventional physics, Sketching Theoretical Biology illustrates the types of questions in biology that correspond to the types of issues discussed in theoretical physics. This book, originally published in 1969, centers around a vigorous debate on the role played by metaphysical beliefs in determining scientific attitudes. The discussion covers heredity and evolution, cognitive processes and control processes, general property of hierarchies, and the current status of neo-Darwinism. Contributors include theoretical physicists, philosophers, neuroscientists, theoretical chemists, computer scientists, chemical engineers, geneticists and molecular biologists.
Author: Erik Peterson Publisher: University of Pittsburgh Press ISBN: 082298198X Category : Science Languages : en Pages : 327
Book Description
As scientists debated the nature of life in the nineteenth century, two theories predominated: vitalism, which suggested that living things contained a "vital spark," and mechanism, the idea that animals and humans differed from nonliving things only in their degree of complexity. Erik Peterson tells the forgotten story of the pursuit of a Third Way in biology, known by many names, including "the organic philosophy," which gave rise to C. H. Waddington's work in the subfield of epigenetics: an alternative to standard genetics and evolutionary biology that captured the attention of notable scientists from Francis Crick to Stephen Jay Gould. The Life Organic chronicles the influential biologists, mathematicians, philosophers, and biochemists from both sides of the Atlantic who formed Joseph Needham's Theoretical Biology Club, defined and refined Third-Way thinking through the 1930s, and laid the groundwork for some of the most cutting-edge achievements in biology today. By tracing the persistence of organicism into the twenty-first century, this book also raises significant questions about how we should model the development of the discipline of biology going forward.
Author: Jian-min Yuan Publisher: World Scientific ISBN: 9813202394 Category : Science Languages : en Pages : 327
Book Description
This book reviews current research on the important processes involved in neurodegenerative diseases (e.g. Alzheimer's disease) and the peptides and proteins involved in the amyloidogenic processes. It covers the design and developments of anti-amyloid inhibitors, and gives readers a fundamental understanding of the underlying oligomerization and aggregation processes of these diseases from both computational and experimental points of view.
Author: Zvonimir B. Maksic Publisher: Springer Science & Business Media ISBN: 3642581838 Category : Science Languages : en Pages : 462
Book Description
The French chemist Marcelin Berthelot put forward a classical and by now an often cited sentence revealing the quintessence of the chemical science: "La Chimie cree son objet". This is certainly true because the largest number of molecular compounds were and are continuously synthesized by chemists themselves. However, modern computational quantum chemistry has reached a state of maturity that one can safely say: "La Chimie Theorique cree son objet" as well. Indeed, modern theoretical chemistry is able today to provide reliable results on elusive systems such as short living species, reactive intermediates and molecules which will perhaps never be synthesized because of one or another type of instability. It is capable of yielding precious information on the nature of the transition states, reaction paths etc. Additionally, computational chemistry gives some details of the electronic and geometric structure of molecules which remain hidden in experimental examinations. Hence, it follows that powerful numerical techniques have substantially enlarged the domain of classical chemistry. On the other hand, interpretive quantum chemistry has provided a conceptual framework which enabled rationalization and understanding of the precise data offered either by experiment or theory. It is modelling which gives a penetrating insight into the chemical phenomena and provides order in raw experimental results which would otherwise represent just a large catalogue of unrelated facts.
Author: T.L. Hill Publisher: Springer Science & Business Media ISBN: 146125082X Category : Science Languages : en Pages : 468
Book Description
During the past few decades we have witnessed an era of remarkable growth in the field of molecular biology. In 1950 very little was known of the chemical constitution of biological systems, the manner in which information was trans mitted from one organism to another, or the extent to which the chemical basis of life is unified. The picture today is dramatically different. We have an almost bewildering variety of information detailing many different aspects of life at the molecular level. These great advances have brought with them some breath-taking insights into the molecular mechanisms used by nature for rep licating, distributing and modifying biological information. We have learned a great deal about the chemical and physical nature of the macromolecular nucleic acids and proteins, and the manner in which carbohydrates, lipids and smaller molecules work together to provide the molecular setting of living sys tems. It might be said that these few decades have replaced a near vacuum of information with a very large surplus. It is in the context of this flood of information that this series of monographs on molecular biology has been organized. The idea is to bring together in one place, between the covers of one book, a concise assessment of the state of the subject in a well-defined field. This will enable the reader to get a sense of historical perspective-what is known about the field today-and a description of the frontiers of research where our knowledge is increasing steadily.
Author: Leif A. Eriksson
Author: Leif A. Eriksson
Author: David L. Beveridge
Author: Thomas A.C. Reydon
Author: Wilhelmina A. Leigh
Author: Erik Peterson
Author: Jerome Alexander
Author: Jian-min Yuan
Author: Zvonimir B. Maksic
Author: David L. Beveridge
Author: T.L. Hill