Applications of molecular dynamics in biophysics range over many areas. They are used in the structure determination of macromolecules with x-ray and NMR data, the modelling of unknown structures from their sequence, the study of enzyme mechanisms, the estimation of ligand-binding free energies, the evaluation of the role of conformational change in protein function, and drug design for targets of known structures.
The widespread application of molecular dynamics and related methodologies suggests that it would be useful to have available an introductory self-contained course by which students with a relatively limited background in chemistry, biology and computer literacy, can learn the fundamentals of the field.
This Guide to Biomolecular Simulations tries to fill this need. The Guide consists of six chapters which provide the fundamentals of the field and six chapters which introduce the reader to more specialized but important applications of the methodology. The book emerged from a biophysics course held at Harvard in the s and is therefore suited for standalone self-study as well as for classroom use …. And finally, a reader who successfully worked through the book obtained significant experience in using CHARMM, one of the most widely used molecular dynamics packages in biomolecular simulations.
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Biomolecular modelling and related Life Science disciplines – Bioexcel
Becker; Martin Karplus. Springer, Becker, Martin Karplus ,. Kluwer Academic Publishers, Brand New. Kindly provide day time phone number in order to ensure smooth delivery. We may ship from Asian regions for inventory purpose. Sanner, M. Python: a programming language for software integration and development. DeLano, W. The PyMOL molecular graphics system. DeLano Scientific [online] , Humphrey, W. VMD: visual molecular dynamics. Alberts, B. Molecular Biology of the Cell 4th edn Garland Science, Pollard, T. Cell Biology 2nd edn Ch.
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An introduction to biomolecular graphics. PLoS Comput. Download references.
The authors thank E. Meng for editing, and G.