Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes

by Liwo, Adam

• ISBN13: 9783642285530
• ISBN10: 3642285538
• Format: Hardcover
• Copyright: 2013-07-30
• Publisher: Springer-Nature New York Inc

Summary

Since the second half of the 20th centuries, machine computations play a continuously increasing role in science and engineering. The simulations are particularly important in studying biological systems at a molecular level, because they are often the only way to get the idea of the behavior of the whole system. The difference in time- and size-scale, as well as in the required accuracy of description demands the use of different approaches, from comparative analysis of sequence and structural databases, or analyzing the networks of interdependence between cell components and processes, through coarse-grained modeling where individual molecules come into play, though at an approximate level, to atomistic-detailed simulations and, finally, molecular quantum mechanics. The book provides an overview of modern computer-based techniques to compute structure, properties. and dynamics of biomolecules and biomolecular processes. The chapters contributed by scientists from 20 research groups from all over the world, with the introductory chapter written by Harold A. Scheraga, one of the very pioneers of simulation studies of biomacromolecules, address computer-simulation techniques for studying biological phenomena from the perspectives of methodology and applications.