Molecular Modeling and Simulation
An Interdisciplinary Guide
Seiten
2002
Springer-Verlag New York Inc.
978-0-387-95404-2 (ISBN)
Springer-Verlag New York Inc.
978-0-387-95404-2 (ISBN)
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Evolving from an interdisciplinary graduate course entitled 'Molecular Modeling' developed at New York University, this book is suitable for scientists who wish to enter, or become familiar with, the field of biomolecular modeling and simulation.
The basic goal of this new text is to introduce students to molecular modeling and simulation and to the wide range of biomolecular problems being attacked by computational techniques. The premise of the author is that the dazzling modeling and simulation software now available often leaves practitioners unaware of the fundamental problems and the complex algorithmic approaches to them that still form the heart of ongoing research. The text provides an overview of biomolecular modeling and structure, molecular mechanics (including functional construction and evaluation techniques), molecular graphics and visualization, techniques for conformational sampling (Monte Carlo, global optimization), methods for geometry optimization, and molecular dynamics simulations. Throughout the text emphasizes that the field changes very rapidly and that it is full of exciting discoveries, and that many of these findings lead to medical and technological breakthroughs. This book stimulates this excitement, while still providing students many computational details. The text evolved from Molecular Modeling courses taught by the author at New York University.
It contains detailed illustrations throughout and homework assignments at the end of the book. It should appeal to beginning graduate students in medical schools, and in many scientific departments such as biology, chemistry, physics, mathematics and computer science.
The basic goal of this new text is to introduce students to molecular modeling and simulation and to the wide range of biomolecular problems being attacked by computational techniques. The premise of the author is that the dazzling modeling and simulation software now available often leaves practitioners unaware of the fundamental problems and the complex algorithmic approaches to them that still form the heart of ongoing research. The text provides an overview of biomolecular modeling and structure, molecular mechanics (including functional construction and evaluation techniques), molecular graphics and visualization, techniques for conformational sampling (Monte Carlo, global optimization), methods for geometry optimization, and molecular dynamics simulations. Throughout the text emphasizes that the field changes very rapidly and that it is full of exciting discoveries, and that many of these findings lead to medical and technological breakthroughs. This book stimulates this excitement, while still providing students many computational details. The text evolved from Molecular Modeling courses taught by the author at New York University.
It contains detailed illustrations throughout and homework assignments at the end of the book. It should appeal to beginning graduate students in medical schools, and in many scientific departments such as biology, chemistry, physics, mathematics and computer science.
Biomolecular Structure and Modeling: Historical Perspective * Biomolecular Structure and Modeling: Problem and Application Perspective * Protein Structure Introduction * Protein Structure Hierarchy * Nucleic Acids Structure Minitutorial * Topics in Nucleic Acids Structure * Theoretical and Computational Approaches to Biomolecular Structure * Force Fields * Nonbonded Computations * Multivariate Minimization in Computational Chemistry * Monte Carlo Techniques * Molecular Dynamics: Basics * Molecular Dynamics: Further Topics * Similarity and Diversity in Chemical Design * Epilogue * Appendices * Index
Erscheint lt. Verlag | 4.9.2002 |
---|---|
Reihe/Serie | Interdisciplinary Applied Mathematics ; 21 |
Zusatzinfo | 38 black & white illustrations, 109 colour illustrations, 24 black & white tables |
Verlagsort | New York, NY |
Sprache | englisch |
Maße | 155 x 235 mm |
Gewicht | 1115 g |
Themenwelt | Informatik ► Grafik / Design ► Digitale Bildverarbeitung |
Naturwissenschaften ► Biologie ► Biochemie | |
Naturwissenschaften ► Biologie ► Genetik / Molekularbiologie | |
ISBN-10 | 0-387-95404-X / 038795404X |
ISBN-13 | 978-0-387-95404-2 / 9780387954042 |
Zustand | Neuware |
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