Protein Conformational Dynamics (eBook)

Ke-Li Han, Xin Zhang, Ming-jun Yang (Herausgeber)

eBook Download: PDF

2014 | 2014
XII, 488 Seiten
Springer International Publishing (Verlag)
978-3-319-02970-2 (ISBN)

Infos

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.

Inhalt

1. Protein Folding Simulations by Generalized-ensemble AlgorithmsTakao Yoda, Yuji Sugita & Yuko Okamoto2. Application of Markov State Models to Simulate Long Timescale Dynamics of Biological MacromoleculesLin-Tai Da, Fu Kit Sheong, Daniel-Adriano Silva & Xuhui Huang3. Understanding Protein Dynamics Using Conformational EnsemblesX. Salvatella4. Generative Models of Conformational DynamicsChristopher James Langmead5. Generalized Spring Tensor Models for Protein Fluctuation Dynamics and Conformation ChangesHyuntae Na, Tu-Liang Lin & Guang Song6. The Joys and Perils of Flexible FittingNiels Volkmann7. Coarse-Grained Models of the Proteins Backbone: Conformational DynamicsTap Ha-Duong8. Simulating Protein Folding in Different Environmental ConditionsDirar Homouz9. Simulating the Peptide Folding Kinetic Related Spectra Based on the Markov State ModelJian Song & Wei Zhuang10. The Dilemma of Conformational Dynamics in Enzyme Catalysis: Perspectives from Theory and ExperimentUrmi Doshi & Donald Hamelberg11. Exploiting Protein Intrinsic Flexibility in Drug DesignSuryani Lukman, Chandra S. Verma, & Gloria Fuentes12. NMR and Computational Methods in the Structural and Dynamic Characterization of Ligand-receptor InteractionsMichela Ghitti, Giovanna Musco & Andrea Spitaler13. Molecular Dynamics Simulation of Membrane ProteinsJingwei Weng &  Wenning Wang14. Free-energy Landscape of Intrinsically Disordered Proteins Investigated by All-atom Multicanonical Molecular DynamicsJunichi Higo & Koji Umezawa15. Coordination and Control Inside Simple Biomolecular MachinesJin Yu16. Multi-state Targeting Machinery Govern the Fidelity and Efficiency of Protein LocalizationMing-jun Yang, Xueqin Pang & Ke-li Han17. Molecular Dynamics Simulations of F1-ATPase Yuko Ito & Mitsunori Ikeguchi18. Chemosensorial G-proteins-coupled Receptors: A Perspective from Computational Methods Francesco Musiani, Giulia Rossetti, Alejandro Giorgetti & Paolo Carloni

Produkt-Details

• Erscheint lt. Verlag: 20.1.2014
• Reihe/Serie: Advances in Experimental Medicine and Biology
• Reihe/Serie: Advances in Experimental Medicine and Biology
• Zusatzinfo: XII, 488 p. 123 illus., 102 illus. in color.
• Verlagsort: Cham
• Sprache: englisch
• Themenwelt: Studium ► 1. Studienabschnitt (Vorklinik) ► Biochemie / Molekularbiologie
• Themenwelt: Naturwissenschaften ► Biologie
• Themenwelt: Technik
• ISBN-10: 3-319-02970-3 / 3319029703
• ISBN-13: 978-3-319-02970-2 / 9783319029702