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Protein Conformational Dynamics

Paperback Engels 2016 9783319353890
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Samenvatting

This book discusses how biological molecules exert their function and regulate biological processes, with a clear focus on how conformational dynamics of proteins are critical in this respect. In the last decade, the advancements in computational biology, nuclear magnetic resonance including paramagnetic relaxation enhancement, and fluorescence-based ensemble/single-molecule techniques have shown that biological molecules (proteins, DNAs and RNAs) fluctuate under equilibrium conditions. The conformational and energetic spaces that these fluctuations explore likely contain active conformations that are critical for their function. More interestingly, these fluctuations can respond actively to external cues, which introduces layers of tight regulation on the biological processes that they dictate. A growing number of studies have suggested that conformational dynamics of proteins govern their role in regulating biological functions, examples of this regulation can be found in signal transduction, molecular recognition, apoptosis, protein / ion / other molecules translocation and gene expression.

 On the experimental side, the technical advances have offered deep insights into the conformational motions of a number of proteins. These studies greatly enrich our knowledge of the interplay between structure and function.

 On the theoretical side, novel approaches and detailed computational simulations have provided powerful tools in the study of enzyme catalysis, protein / drug design, protein / ion / other molecule translocation and protein folding/aggregation, to name but a few. This work contains detailed information, not only on the conformational motions of biological systems, but also on the potential governing forces of conformational dynamics (transient interactions, chemical and physical origins, thermodynamic properties). New developments in computational simulations will greatly enhance our understanding of how these molecules function in various biological events.

Specificaties

ISBN13:9783319353890
Taal:Engels
Bindwijze:paperback
Uitgever:Springer International Publishing

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Inhoudsopgave

<p>1. Protein Folding Simulations by Generalized-ensemble Algorithms</p><p>Takao Yoda, Yuji Sugita &amp; Yuko Okamoto</p><p>2. Application of Markov State Models to Simulate Long Timescale Dynamics of Biological Macromolecules</p><p>Lin-Tai Da, Fu Kit Sheong, Daniel-Adriano Silva &amp; Xuhui Huang</p><p>3. Understanding Protein Dynamics Using Conformational Ensembles</p><p>X. Salvatella</p><p>4. Generative Models of Conformational Dynamics</p><p>Christopher James Langmead</p><p>5. Generalized Spring Tensor Models for Protein Fluctuation Dynamics and Conformation Changes</p><p>Hyuntae Na, Tu-Liang Lin &amp; Guang Song</p><p>6. The Joys and Perils of Flexible Fitting</p><p>Niels Volkmann</p><p>7. Coarse-Grained Models of the Proteins Backbone: Conformational Dynamics</p><p>Tap Ha-Duong</p><p>8. Simulating Protein Folding in Different Environmental Conditions</p><p>Dirar Homouz</p><p>9. Simulating the Peptide Folding Kinetic Related Spectra Based on the Markov State Model</p><p>Jian Song &amp; Wei Zhuang</p><p>10. The Dilemma of Conformational Dynamics in Enzyme Catalysis: Perspectives from <br>Theory and Experiment</p><p>Urmi Doshi &amp; Donald Hamelberg</p><p>11. Exploiting Protein Intrinsic Flexibility in Drug Design</p><p>Suryani Lukman, Chandra S. Verma, &amp; Gloria Fuentes</p><p>12. NMR and Computational Methods in the Structural and Dynamic Characterization of Ligand-receptor Interactions</p><p>Michela Ghitti, Giovanna Musco &amp; Andrea Spitaler</p><p>13. Molecular Dynamics Simulation of Membrane Proteins</p><p>Jingwei Weng &amp;  Wenning Wang<sup></sup></p><p>14. Free-energy Landscape of Intrinsically Disordered Proteins Investigated by All-atom Multicanonical Molecular Dynamics</p><p>Junichi Higo &amp; Koji Umezawa</p><p>15. Coordination and Control Inside Simple Biomolecular Machines</p><p>Jin Yu</p><p>16. Multi-state Targeting Machinery Govern the Fidelity and Efficiency of Protein Localization</p><p>Ming-jun Yang, Xueqin Pang &amp; Ke-li Han</p><p>17. Molecular Dynamics Simulations of F1-ATPase </p><p>Yuko Ito &amp; Mitsunori Ikeguchi</p><p>18. Chemosensorial G-proteins-coupled Receptors: A Perspective from Computational Methods </p><p>Francesco Musiani, Giulia Rossetti, Alejandro Giorgetti &amp; Paolo Carloni</p>

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        Protein Conformational Dynamics