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Normal Mode Analysis

Normal Mode Analysis PDF Author: Qiang Cui
Publisher: CRC Press
ISBN: 142003507X
Category : Mathematics
Languages : en
Pages : 448

Book Description
Rapid developments in experimental techniques continue to push back the limits in the resolution, size, and complexity of the chemical and biological systems that can be investigated. This challenges the theoretical community to develop innovative methods for better interpreting experimental results. Normal Mode Analysis (NMA) is one such technique

Normal Mode Analysis

Normal Mode Analysis PDF Author: Qiang Cui
Publisher: CRC Press
ISBN: 142003507X
Category : Mathematics
Languages : en
Pages : 448

Book Description
Rapid developments in experimental techniques continue to push back the limits in the resolution, size, and complexity of the chemical and biological systems that can be investigated. This challenges the theoretical community to develop innovative methods for better interpreting experimental results. Normal Mode Analysis (NMA) is one such technique

Normal Modes and Localization in Nonlinear Systems

Normal Modes and Localization in Nonlinear Systems PDF Author: Alexander F. Vakakis
Publisher: Springer Science & Business Media
ISBN: 9401724520
Category : Science
Languages : en
Pages : 290

Book Description
The nonlinear normal modes of a parametrically excited cantilever beam are constructed by directly applying the method of multiple scales to the governing integral-partial differential equation and associated boundary conditions. The effect of the inertia and curvature nonlin earities and the parametric excitation on the spatial distribution of the deflection is examined. The results are compared with those obtained by using a single-mode discretization. In the absence of linear viscous and quadratic damping, it is shown that there are nonlinear normal modes, as defined by Rosenberg, even in the presence of a principal parametric excitation. Furthermore, the nonlinear mode shape obtained with the direct approach is compared with that obtained with the discretization approach for some values of the excitation frequency. In the single-mode discretization, the spatial distribution of the deflection is assumed a priori to be given by the linear mode shape ¢n, which is parametrically excited, as Equation (41). Thus, the mode shape is not influenced by the nonlinear curvature and nonlinear damping. On the other hand, in the direct approach, the mode shape is not assumed a priori; the nonlinear effects modify the linear mode shape ¢n. Therefore, in the case of large-amplitude oscillations, the single-mode discretization may yield inaccurate mode shapes. References 1. Vakakis, A. F., Manevitch, L. I., Mikhlin, Y. v., Pilipchuk, V. N., and Zevin A. A., Nonnal Modes and Localization in Nonlinear Systems, Wiley, New York, 1996.

Molecular Modeling of Proteins

Molecular Modeling of Proteins PDF Author: Andreas Kukol
Publisher: Humana Press
ISBN: 9781493954919
Category : Science
Languages : en
Pages : 474

Book Description
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.

Atomistic Approaches in Modern Biology

Atomistic Approaches in Modern Biology PDF Author: Markus Reiher
Publisher: Springer Science & Business Media
ISBN: 3540380825
Category : Science
Languages : en
Pages : 368

Book Description
With contributions by numerous experts

A Practical Introduction to the Simulation of Molecular Systems

A Practical Introduction to the Simulation of Molecular Systems PDF Author: Martin J. Field
Publisher: Cambridge University Press
ISBN: 1139465813
Category : Science
Languages : en
Pages : 294

Book Description
Molecular simulation is a powerful tool in materials science, physics, chemistry and biomolecular fields. This updated edition provides a pragmatic introduction to a wide range of techniques for the simulation of molecular systems at the atomic level. The first part concentrates on methods for calculating the potential energy of a molecular system, with new chapters on quantum chemical, molecular mechanical and hybrid potential techniques. The second part describes methods examining conformational, dynamical and thermodynamical properties of systems, covering techniques including geometry-optimization, normal-mode analysis, molecular dynamics, and Monte Carlo simulation. Using Python, the second edition includes numerous examples and program modules for each simulation technique, allowing the reader to perform the calculations and appreciate the inherent difficulties involved in each. This is a valuable resource for researchers and graduate students wanting to know how to use atomic-scale molecular simulations. Supplementary material, including the program library and technical information, available through www.cambridge.org/9780521852524.

Protein Simulations

Protein Simulations PDF Author: Valerie Daggett
Publisher: Elsevier
ISBN: 0080493785
Category : Medical
Languages : en
Pages : 477

Book Description
Protein Simulation focuses on predicting how protein will act in vivo. These studies use computer analysis, computer modeling, and statistical probability to predict protein function.* Force Fields* Ligand Binding* Protein Membrane Simulation* Enzyme Dynamics* Protein Folding and unfolding simulations

The Physics of Waves

The Physics of Waves PDF Author: Howard Georgi
Publisher: Addison Wesley Publishing Company
ISBN:
Category : Science
Languages : en
Pages : 442

Book Description
The first complete introduction to waves and wave phenomena by a renowned theorist. Covers damping, forced oscillations and resonance; normal modes; symmetries; traveling waves; signals and Fourier analysis; polarization; diffraction.

Coarse-Graining of Condensed Phase and Biomolecular Systems

Coarse-Graining of Condensed Phase and Biomolecular Systems PDF Author: Gregory A. Voth
Publisher: CRC Press
ISBN: 1420059564
Category : Science
Languages : en
Pages : 492

Book Description
Exploring recent developments in the field, Coarse-Graining of Condensed Phase and Biomolecular Systems examines systematic ways of constructing coarse-grained representations for complex systems. It explains how this approach can be used in the simulation and modeling of condensed phase and biomolecular systems. Assembling some of the most influential, world-renowned researchers in the field, this book covers the latest developments in the coarse-grained molecular dynamics simulation and modeling of condensed phase and biomolecular systems. Each chapter focuses on specific examples of evolving coarse-graining methodologies and presents results for a variety of complex systems. The contributors discuss the minimalist, inversion, and multiscale approaches to coarse-graining, along with the emerging challenges of coarse-graining. They also connect atomic-level information with new coarse-grained representations of complex systems, such as lipid bilayers, proteins, peptides, and DNA.

Infrared and Raman Spectroscopy

Infrared and Raman Spectroscopy PDF Author: Peter Larkin
Publisher: Elsevier
ISBN: 0128042095
Category : Science
Languages : en
Pages : 288

Book Description
Infrared and Raman Spectroscopy, Principles and Spectral Interpretation, Second Edition provides a solid introduction to vibrational spectroscopy with an emphasis on developing critical interpretation skills. This book fully integrates the use of both IR and Raman spectroscopy as spectral interpretation tools, enabling the user to utilize the strength of both techniques while also recognizing their weaknesses. This second edition more than doubles the amount of interpreted IR and Raman spectra standards and spectral unknowns. The chapter on characteristic group frequencies is expanded to include increased discussions of sulphur and phosphorus organics, aromatic and heteroaromatics as well as inorganic compounds. New topics include a discussion of crystal lattice vibrations (low frequency/THz), confocal Raman microscopy, spatial resolution in IR and Raman microscopy, as well as criteria for selecting Raman excitation wavelengths. These additions accommodate the growing use of vibrational spectroscopy for process analytical monitoring, nanomaterial investigations, and structural and identity determinations to an increasing user base in both industry and academia. - Integrates discussion of IR and Raman spectra - Pairs generalized IR and Raman spectra of functional groups with tables and text - Includes over 150 fully interpreted, high quality IR and Raman reference spectra - Contains fifty-four unknown IR and Raman spectra, with a corresponding answer key

Cell Biology by the Numbers

Cell Biology by the Numbers PDF Author: Ron Milo
Publisher: Garland Science
ISBN: 1317230698
Category : Science
Languages : en
Pages : 400

Book Description
A Top 25 CHOICE 2016 Title, and recipient of the CHOICE Outstanding Academic Title (OAT) Award. How much energy is released in ATP hydrolysis? How many mRNAs are in a cell? How genetically similar are two random people? What is faster, transcription or translation?Cell Biology by the Numbers explores these questions and dozens of others provid