Table of contents
About this book
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.
bioinformatics force fields kinetics calculations ligand binding maximum Entropy
Editors and affiliations
- DOI https://doi.org/10.1007/978-1-4939-9608-7
- Copyright Information Springer Science+Business Media, LLC, part of Springer Nature 2019
- Publisher Name Humana, New York, NY
- eBook Packages Springer Protocols
- Print ISBN 978-1-4939-9607-0
- Online ISBN 978-1-4939-9608-7
- Series Print ISSN 1064-3745
- Series Online ISSN 1940-6029
- Buy this book on publisher's site