This book evolved from an interdisciplinary graduate course entitled Molecular Modeling developed at New York University. Its primary goal is to stimulate excitement for molecular modeling research while introducing readers to the wide range of biomolecular problems being solved by computational techniques and to those computational tools. The book is intended for beginning graduate students in medical schools and scientific fields such as biology, chemistry, physics, mathematics, and computer science. Other scientists who wish to enter, or become familiar, with the field of biomolecular modeling and simulation may also benefit from the broad coverage of problems and approaches. The book surveys three broad areas: biomolecular structure and modeling: current problems and state of computations; molecular mechanics: force field origin, composition, and evaluation techniques; and simulation methods: geometry optimization, Monte Carlo, and molecular dynamics approaches. Appendices featuring homework assignments, reading lists, and other information useful for teaching molecular modeling complement the material in the main text. Extensive use of world wide web resources is encouraged, and additional course and text information may be found on a supplementary website. Some praise for Tamar Schlick
As AMolecular Modeling and Simulation: An Interdisciplinary GuideA: ]]"The interdisciplinary structural biology community has waited long for a book of this kind which provides an excellent introduction to molecular modeling.A]AHarold A. Scheraga, Cornell University]]"A uniquely valuable introduction to the modeling of biomolecular structure and dynamics. A rigorous and up-to-date treatment of thefoundations, enlivened by engaging anecdotes and historical notes.A]AJ. Andrew McCammon, Howard Hughes Medical Institute, University of California at San Diego]]"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.A]AJ.J. Collins, Boston University
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.