Becker O.M., MacKerell A.D. et al. Computational Biochemistry and Biophysics
размером 5,90 МБ
Добавлен пользователем Asp9, дата добавления неизвестна
CRC Press, 2001. — 512 p. — ISBN 0824741404, 9780824741402.The book provides the needed information for calculating and interpreting experimentally observed properties on the basis of the results generated by computer simulations. This book is organized so that nonspecialists as well as more advanced users can benefit. It can serve as both an introductory text to computational biology, making it useful for students, and a reference source for active researchers in the field. We have tried to compile a comprehensive but reasonably concise review of relevant theoretical and computational methods that is self-contained. Therefore, the chapters, particularly in Part I, are ordered so that the reader can easily follow from one topic to the next and be systematically introduced to the theoretical methods used in computational studies of biomolecular systems. The remainder of the book is designed so that the individual parts as well as their chapters can be read independently. Additional technical details can be found in the references listed in each chapter. Thus the book may also serve as a useful reference for both theoreticians and experimentalists in all areas of biophysics and biochemical research. This volume thus presents a current and comprehensive account of computational methods and their application to biological macromolecules. We hope that it will serve as a useful tool to guide future investigations of proteins, nucleic acids, and biological membranes, so that the mysteries of biological molecules can continue to be revealed.Computational Methods Introduction Atomistic Models and Force Fields Dynamics Methods Conformational Analysis Treatment of Long-Range Forces and Potential Internal Coordinate Simulation Method Implicit Solvent Models Normal Mode Analysis of Biological Molecules Free Energy Calculations Reaction Rates and Transition Pathways Computer Simulation of Biochemical Reactions with QM–MM Methods Experimental Data Analysis X-Ray and Neutron Scattering as Probes of the Dynamics of Biological Molecules Applications of Molecular Modeling in NMR Structure Determination Modeling and Design Comparative Protein Structure Modeling Bayesian Statistics in Molecular and Structural Biology Computer Aided Drug Design Advanced Applications Protein Folding: Computational Approaches Simulations of Electron Transfer Proteins The RISM-SCF/MCSCF Approach for Chemical Processes in Solutions Nucleic Acid Simulations Membrane Simulations
Чтобы скачать этот файл зарегистрируйтесь и/или войдите на сайт используя форму сверху.