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9780367397579

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From the foreword... ...This volume has an important role to play in the transition of the field from one limited to specialists to the mainstream of molecular biology. The emphasis on an in-depth description of the computational methodology will make the volume useful as an introduction to the field for many people who are doing simulations for the first time....A number of well-chosen 'special topics' involving applications of simulation methods are described....several chapters broaden the perspective of the book by introducing approaches other than molecular dynamics for modeling proteins and their interactions....equally important...is the biophysical aspect of computational biology. I am very pleased to have been given the opportunity to contribute a Foreword to this very useful book. It is a particular pleasure for me to do so because all the editors and fifteen of the authors are alumnae of my research group at Harvard, where molecular dynamics simulations of biomolecules originated. ---Martin Karplus, Laboratoire de chimie Biophysique, ISIS Universiti Louis Pasteur, Strasbourg, France, and Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts Promo Copy

From the foreword... ...This volume has an important role to play in the transition of the field from one limited to specialists to the mainstream of molecular biology. The emphasis on an in-depth description of the computational methodology will make the volume useful as an introduction to the field for many people who are doing simulations for the first time....A number of well-chosen 'special topics' involving applications of simulation methods are described....several chapters broaden the perspective of the book by introducing approaches other than molecular dynamics for modeling proteins and their interactions....equally important...is the biophysical aspect of computational biology. I am very pleased to have been given the opportunity to contribute a Foreword to this very useful book. It is a particular pleasure for me to do so because all the editors and fifteen of the authors are alumnae of my research group at Harvard, where molecular dynamics simulations of biomolecules originated. ---Martin Karplus, Laboratoire de chimie Biophysique, ISIS Universite Louis Pasteur, Strasbourg, France, and Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts Promo Copy

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Oren M. Becker, Alexander D. MacKerell, Benoît Roux, Masakatsu Watanabe

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