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Titlebook: Biomolecular Simulations; Methods and Protocol Massimiliano Bonomi,Carlo Camilloni Book 2019 Springer Science+Business Media, LLC, part of

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期刊全稱Biomolecular Simulations
期刊簡稱Methods and Protocol
影響因子2023Massimiliano Bonomi,Carlo Camilloni
視頻videohttp://file.papertrans.cn/189/188260/188260.mp4
發(fā)行地址Includes cutting-edge methods and protocols.Provides step-by-step detail essential for reproducible results.Contains key notes and implementation advice from the experts
學(xué)科分類Methods in Molecular Biology
圖書封面Titlebook: Biomolecular Simulations; Methods and Protocol Massimiliano Bonomi,Carlo Camilloni Book 2019 Springer Science+Business Media, LLC, part of
影響因子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 a
Pindex Book 2019
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978-1-4939-9610-0Springer Science+Business Media, LLC, part of Springer Nature 2019
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Massimiliano Bonomi,Carlo CamilloniIncludes cutting-edge methods and protocols.Provides step-by-step detail essential for reproducible results.Contains key notes and implementation advice from the experts
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Data Quality—Lifeblood of Digitalizationuse of the potential pharmaceutical applications. With the continuous advancement of computer technology, it is now possible to study RNA folding. Molecular mechanics calculations are useful in discovering the structural and thermodynamic properties of RNA systems. Yet, the predictions depend on the
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https://doi.org/10.1007/978-3-662-67782-7ow QC models can be used to explore the electronic structure, dynamics, and energetics of biomolecules. We introduce the hybrid quantum mechanics/classical mechanics (QM/MM) approach, where a quantum mechanically described system of interest is embedded in a classically described force field represe
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Fan Wang,Chunhua Deng,Bo Yuan,Chao Chen to four heavy atoms to one CG particle. The effective interactions between the CG particles are parametrized to reproduce partitioning free energies of small chemical compounds between polar and apolar phases. In this chapter, a summary of the key elements of this CG force field is presented, follo
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