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Molecular modeling and simulation : an interdisciplinary guide
Author:
ISBN: 038795404X 1475758936 9786610009565 128000956X 0387224645 9780387954042 Year: 2002 Volume: v. 21 Publisher: New York : Springer,

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Abstract

Science is a way of looking, reverencing. And the purpose of all science, like living, which amounts to the same thing, is not the ac­ cumulation of gnostic power, the fixing of formulas for the name of God, the stockpiling of brutal efficiency, accomplishing the sadistic myth of progress. The purpose of science is to revive and cultivate a perpetual state of wonder. For nothing deserves wonder so much as our capacity to experience it. Roald Hoffman and Shira Leibowitz Schmidt, in Old Wine, New Flasks: Re. flections on Science and Jewish Tradition (W. H. Freeman, 1997). Challenges in Teaching Molecular Modeling This textbook evolved from a graduate course termed Molecular Modeling intro­ duced in the fall of 1996 at New York University. The primary goal of the course is to stimulate excitement for molecular modeling research - much in the spirit of Hoffman and Leibowitz Schmidt above - while providing grounding in the discipline. Such knowledge is valuable for research dealing with many practical problems in both the acadernic and industrial sectors, from developing treatments for AIDS (via inhibitors to the protease enzyme of the human imrnunodeficiency virus, HIV-1) to designing potatoes that yie1d spot-free potato chips (via trans­ genic potatoes with altered carbohydrate metabolism). In the course of writing xii Preface this text, the notes have expanded to function also as an introduction to the field for scientists in other disciplines by providing a global perspective into problems and approaches, rather than a comprehensive survey.

Keywords

Biomolecules --- Biomolécules --- Models. --- Models --- Computer simulation. --- Modèles --- Simulation par ordinateur --- Computer simulation --- 539.2 --- Properties and structure of molecular systems --- Biomolecules -- Models -- Computer simulation. --- Biomolecules -- Models. --- Electronic books. -- local. --- Models, Molecular --- Computer Simulation --- Models, Theoretical --- Computing Methodologies --- Information Science --- Investigative Techniques --- Analytical, Diagnostic and Therapeutic Techniques and Equipment --- Physical & Theoretical Chemistry --- Chemistry --- Physical Sciences & Mathematics --- Biology --- Health & Biological Sciences --- Biochemistry --- Biology - General --- 539.2 Properties and structure of molecular systems --- Biomolécules --- Modèles --- Biological molecules --- Molecules --- Molecular biology --- Models&delete& --- Biochemistry. --- Biochemical engineering. --- Biomathematics. --- Biophysics. --- Biological physics. --- Biochemistry, general. --- Biochemical Engineering. --- Simulation and Modeling. --- Mathematical and Computational Biology. --- Biological and Medical Physics, Biophysics. --- Biological physics --- Medical sciences --- Physics --- Mathematics --- Computer modeling --- Computer models --- Modeling, Computer --- Models, Computer --- Simulation, Computer --- Electromechanical analogies --- Mathematical models --- Simulation methods --- Model-integrated computing --- Bio-process engineering --- Bioprocess engineering --- Biotechnology --- Chemical engineering --- Biological chemistry --- Chemical composition of organisms --- Organisms --- Physiological chemistry --- Composition --- Biomolecules - Models --- Biomolecules - Models - Computer simulation


Book
Molecular Modeling and Simulation: An Interdisciplinary Guide : An Interdisciplinary Guide
Author:
ISBN: 1441963502 1441963510 Year: 2010 Publisher: New York, NY : Springer New York : Imprint: Springer,

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Abstract

Review of previous edition: “I am often asked by physicists, mathematicians and engineers to recommend a book that would be useful to get them started in computational molecular biology. I am also often approached by my colleagues in computational biology to recommend a solid textbook for a graduate course in the area. Tamar Schlick has written the book that I will be recommending to both groups. Tamar has done an amazing job in writing a book that is both suitably accessible for beginners, and suitably rigorous for experts.” J. J. Collins, Boston University, USA. “Molecular modeling … is now an important branch of modern biochemistry. … Schlick has brought her unique interdisciplinary expertise to the subject. … One of the most distinguished characteristics of the book is that it makes the reading really fun … and the material accessible. … a crystal clear logical presentation … . Schlick has added a unique title to the collection of mathematical biology textbooks … . a valuable introduction to the field of computational molecular modeling. It is a unique textbook … .” Hong Qian, SIAM Review, 2005.

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