Biomolecular Simulations

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  • Biomolecular Simulations Book Detail

  • Author : Massimiliano Bonomi
  • Release Date : 2020-08-14
  • Publisher : Humana
  • Genre : Science
  • Pages : 581
  • ISBN 13 : 9781493996100
  • File Size : 33,33 MB

Biomolecular Simulations by Massimiliano Bonomi PDF Summary

Book Description: This volume explores the recent advancements in biomolecular simulations of proteins, small molecules, and nucleic acids, with a primary focus on classical molecular dynamics (MD) simulations at atomistic, coarse-grained, and quantum/ab-initio levels. The chapters in this book are divided into four parts: Part One looks at recent techniques used in the development of physic-chemical models of proteins, small molecules, nucleic acids, and lipids; Part Two discusses enhanced sampling and free-energy calculations; Part Three talks about integrative computational and experimental approaches for biomolecular simulations; and Part Four focuses on analyzing, visualizing, and comparing biomolecular simulations. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and tips on troubleshooting and avoiding known pitfalls. Cutting-edge and comprehensive, Biomolecular Simulations: Methods and Protocols is a valuable resource for both novice and expert researchers who are interested in studying different areas of biomolecular simulations, and discovering new tools to progress their future projects.

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Biomolecular Simulations

Biomolecular Simulations

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This volume explores the recent advancements in biomolecular simulations of proteins, small molecules, and nucleic acids, with a primary focus on classical mole

Biomolecular Simulations

Biomolecular Simulations

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Over the past 40 years the field of molecular simulations has evolved from picosecond studies of isolated macromolecules in vacuum to studies of complex, chemic

Guide to Biomolecular Simulations

Guide to Biomolecular Simulations

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Molecular dynamics simulations have become instrumental in replacing our view of proteins as relatively rigid structures with the realization that they were dyn