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Molecular Modeling of Proteins 2nd ed. 2015 [Kõva köide]

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  • Formaat: Hardback, 474 pages, kõrgus x laius: 254x178 mm, 53 Illustrations, color; 51 Illustrations, black and white; X, 474 p. 104 illus., 53 illus. in color. With online files/update., 1 Hardback
  • Sari: Methods in Molecular Biology 1215
  • Ilmumisaeg: 21-Oct-2014
  • Kirjastus: Humana Press Inc.
  • ISBN-10: 1493914642
  • ISBN-13: 9781493914647
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  • Formaat: Hardback, 474 pages, kõrgus x laius: 254x178 mm, 53 Illustrations, color; 51 Illustrations, black and white; X, 474 p. 104 illus., 53 illus. in color. With online files/update., 1 Hardback
  • Sari: Methods in Molecular Biology 1215
  • Ilmumisaeg: 21-Oct-2014
  • Kirjastus: Humana Press Inc.
  • ISBN-10: 1493914642
  • ISBN-13: 9781493914647
Teised raamatud teemal:

Molecular Modeling of Proteins, Second Edition provides a theoretical background of various methods available and enables non-specialists to apply methods to their problems by including updated chapters and new material not covered in the first edition. This detailed volume opens by featuring classical and advanced simulation methods as well as methods to set-up complex systems such as lipid membranes and membrane proteins and continues with chapters devoted to the simulation and analysis of conformational changes of proteins, computational methods for protein structure prediction, usage of experimental data in combination with computational techniques, as well as protein-ligand interactions, which are relevant in the drug design process. Written for the highly successful Methods in Molecular Biology series, chapters include thorough introductions, step-by-step instructions and notes on troubleshooting and avoiding common pitfalls.

Update-to-date and authoritative, Molecular Modeling of Proteins, Second Edition aims to aid researchers in the physical, chemical and biosciences interested in utilizing this powerful technology.

Preface v
Contributors ix
Part I Simulation Methods
1 Molecular Dynamics Simulations
3(24)
Erik Lindahl
2 Transition Path Sampling with Quantum/Classical Mechanics for Reaction Rates
27(20)
Frauke Grater
Wenjin Li
3 Current Status of Protein Force Fields for Molecular Dynamics Simulations
47(26)
Pedro E.M. Lopes
Olgun Guvench
Alexander D. MacKerell Jr.
4 Lipid Membranes for Membrane Proteins
73(18)
Andreas Kukol
5 Molecular Dynamics Simulations of Membrane Proteins
91(18)
Philip C. Biggin
Peter J. Bond
6 Membrane-Associated Proteins and Peptides
109(16)
Marc F. Lensink
7 Coarse-Grained Force Fields for Molecular Simulations
125(26)
Jonathan Barnoud
Luca Monticelli
8 Tackling Sampling Challenges in Biomolecular Simulations
151(22)
Alessandro Barducci
Jim Pfaendtner
Massimiliano Bonomi
9 Calculation of Binding Free Energies
173(40)
Vytautas Gapsys
Servaas Michielssens
Jan Henning Peters
Bert L. de Groot
Hadas Leonov
Part II Conformational Change
10 The Use of Experimental Structures to Model Protein Dynamics
213(24)
Ataur R. Katebi
Kannan Sankar
Kejue Jia
Robert L. Jernigan
11 Computing Ensembles of Transitions with Molecular Dynamics Simulations
237(16)
Juan R. Perilla
Thomas B. Woolf
12 Accelerated Molecular Dynamics and Protein Conformational Change: A Theoretical and Practical Guide Using a Membrane Embedded Model Neurotransmitter Transporter
253(36)
Patrick C. Gedeon
James R. Thomas
Jeffry D. Madura
13 Simulations and Experiments in Protein Folding
289(20)
Giovanni Settanni
Part III Protein Structure Determination
14 Comparative Modeling of Proteins
309(22)
Gerald H. Lushington
15 De Novo Membrane Protein Structure Prediction
331(20)
Timothy Nugent
16 NMR-Based Modeling and Refinement of Protein 3D Structures
351(32)
Wim F. Vranken
Geerten W. Vuister
Alexandre M.J.J. Bonvin
Part IV Protein-Ligand Interactions
17 Methods for Predicting Protein--Ligand Binding Sites
383(16)
Zhong-Ru Xie
Ming-Jing Hwang
18 Information-Driven Structural Modelling of Protein--Protein Interactions
399(26)
Joao P.G.L.M. Rodrigues
Ezgi Karaca
Alexandre M.J.J. Bonvin
19 Identifying Putative Drug Targets and Potential Drug Leads: Starting Points for Virtual Screening and Docking
425(20)
David S. Wishart
20 Molecular Docking to Flexible Targets
445(26)
Jesper Sørensen
Ozlem Demir
Robert V. Swift
Victoria A. Feher
Rommie E. Amaro
Index 471