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1 Sukumar, N Navigating Molecular Networks I13290 2024 eBook  
2 Pang, Yui Tik (Andrew) Biomolecules' Conformational Changes Studied by Simulations and Enhanced Sampling I13160 2024 eBook  
3 Sillerud, Laurel O Abiogenesis I13065 2024 eBook  
4 Large, Steven J Dissipation and Control in Microscopic Nonequilibrium Systems I11871 2021 eBook  
5 Likhtenshtein, Gertz I Biological Water I11866 2021 eBook  
6 Schmidt, C??dric Time-Resolved Soft X-Ray Absorption Spectroscopy of Molecules in the Gas and Liquid Phases I11724 2021 eBook  
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TitleNavigating Molecular Networks
Author(s)Sukumar, N
PublicationCham, 1. Imprint: Springer 2. Springer Nature Switzerland, 2024.
DescriptionXVIII, 114 p. 41 illus., 26 illus. in color : online resource
Abstract NoteThis book delves into the foundational principles governing the treatment of molecular networks and "chemical space"???the comprehensive domain encompassing all physically achievable molecules???from the perspectives of vector space, graph theory, and data science. It explores similarity kernels, network measures, spectral graph theory, and random matrix theory, weaving intriguing connections between these diverse subjects. Notably, it emphasizes the visualization of molecular networks. The exploration continues by delving into contemporary generative deep learning models, increasingly pivotal in the pursuit of new materials possessing specific properties, showcasing some of the most compelling advancements in this field. Concluding with a discussion on the meanings of discovery, creativity, and the role of artificial intelligence (AI) therein. Its primary audience comprises senior undergraduate and graduate students specializing in physics, chemistry, and materials science. Additionally, it caters to those interested in the potential transformation of material discovery through computational, network, AI, and machine learning (ML) methodologies
ISBN,Price9783031762901
Keyword(s)1. Biomolecules 2. BIOPHYSICS 3. EBOOK 4. EBOOK - SPRINGER 5. GRAPH THEORY 6. MACHINE LEARNING 7. MOLECULAR BIOPHYSICS 8. Soft condensed matter 9. Soft Materials 10. STATISTICAL PHYSICS 11. Stochastic Networks 12. STOCHASTIC PROCESSES
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TitleBiomolecules' Conformational Changes Studied by Simulations and Enhanced Sampling
Author(s)Pang, Yui Tik (Andrew)
PublicationCham, 1. Imprint: Springer 2. Springer Nature Switzerland, 2024.
DescriptionXIV, 97 p. 38 illus., 36 illus. in color : online resource
Abstract NoteThis thesis illuminates the critical roles biomolecules, from small molecules to proteins, play in cellular functionality, particularly highlighting their conformational changes in response to environmental cues or binding events???a cornerstone concept in drug design as well as the manifestations of disease. It explores the conformational flexibility of small molecules and proteins, essential for predicting drug interactions and understanding biological processes. Through advanced molecular dynamics simulations and enhanced sampling techniques, this research offers unprecedented insights into the structural dynamics of three distinct biomolecular systems: the capsid assembly modulator AT130, the passenger domain of pertactin, and the SARS-CoV-2 spike protein. Each system represents a unique facet of biological complexity, underscoring the thesis's contribution to our understanding of biomolecular behavior across various scales. Furthermore, the thesis advances the field by updating the Force Field Toolkit for improved simulation accuracy. This work not only showcases the adaptability and importance of simulation techniques in modern biological research but also paves the way for novel therapeutic strategies by deepening our understanding of biomolecular dynamics
ISBN,Price9783031706028
Keyword(s)1. Biomaterials 2. Biomaterials-Proteins 3. Biomolecules 4. BIOPHYSICS 5. Computational Physics and Simulations 6. COMPUTER SIMULATION 7. EBOOK 8. EBOOK - SPRINGER 9. MATHEMATICAL PHYSICS 10. MOLECULAR BIOLOGY 11. MOLECULAR BIOPHYSICS 12. Proteins 13. Virology
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TitleAbiogenesis : The Physical Basis for Living Systems
Author(s)Sillerud, Laurel O
PublicationCham, 1. Imprint: Springer 2. Springer Nature Switzerland, 2024.
DescriptionXVIII, 847 p. 370 illus., 324 illus. in color : online resource
Abstract NoteThis textbook serves to teach readers about the origins of life, the probabilistic process of self-assembly underpinning all living systems, from a biophysics perspective. The author cohesively summarizes the various organizing principles that led to the development of an ordered physical basis on which the evolution of life operates. This book answers critical questions, such as why life depends on the properties of inanimate objects and how the laws of physics, chemistry, and biology convolved to spontaneously produce the periodic table and, of course, life itself. Readers are provided with an introduction to probability distributions as well as detailed descriptions of important concepts in thermodynamics, statistical mechanics, and quantum mechanics. As the book progresses, an understanding for the inevitability of life is developed through topics such as stellar nucleosynthesis and prebiotic evolution. Each chapter also includes problems for readers to gain a better understanding of the material. This textbook is accessible to students and researchers of all levels and serves as a comprehensive guide on the physics behind abiogenesis
ISBN,Price9783031566875
Keyword(s)1. ASTROBIOLOGY 2. Biomolecules 3. Bioorganic Chemistry 4. BIOPHYSICS 5. EBOOK 6. EBOOK - SPRINGER 7. GEOCHEMISTRY 8. MICROBIOLOGY 9. MOLECULAR BIOPHYSICS 10. STATISTICAL PHYSICS
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TitleDissipation and Control in Microscopic Nonequilibrium Systems
Author(s)Large, Steven J
PublicationCham, Springer International Publishing, 2021.
DescriptionXVII, 236 p. 49 illus., 42 illus. in color : online resource
Abstract NoteThis thesis establishes a multifaceted extension of the deterministic control framework that has been a workhorse of nonequilibrium statistical mechanics, to stochastic, discrete, and autonomous control mechanisms. This facilitates the application of ideas from stochastic thermodynamics to the understanding of molecular machines in nanotechnology and in living things. It also gives a scale on which to evaluate the nonequilibrium energetic efficiency of molecular machines, guidelines for designing effective synthetic machines, and a perspective on the engineering principles that govern efficient microscopic energy transduction far from equilibrium. The thesis also documents the author???s design, analysis, and interpretation of the first experimental demonstration of the utility of this generally applicable method for designing energetically-efficient control in biomolecules. Protocols designed using this framework systematically reduced dissipation, when compared to naive protocols, in DNA hairpins across a wide range of experimental unfolding speeds and between sequences with wildly different physical characteristics
ISBN,Price9783030858254
Keyword(s)1. Bio- and Macromolecules 2. Biomolecules 3. BIOPHYSICS 4. EBOOK 5. EBOOK - SPRINGER 6. MOLECULAR BIOPHYSICS 7. MOLECULES 8. STATISTICAL PHYSICS 9. THERMODYNAMICS
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TitleBiological Water : Physicochemical Aspects
Author(s)Likhtenshtein, Gertz I
PublicationCham, Springer International Publishing, 2021.
DescriptionXI, 520 p. 407 illus., 355 illus. in color : online resource
Abstract NoteThis book embraces all physiochemical aspects of the structure and molecular dynamics of water, focusing on its role in biological objects, e.g. living cells and tissue, and in the formation of functionally active structures of biological molecules and their ensembles. Water is the single most abundant chemical found in all living things. It offers a detailed look into the latest modern physical methods for studying the molecular structure and dynamics of the water and provides a critical analysis of the existing literature data on the properties of water in biological objects. Water as a chemical reagent and as a medium for the formation of conditions for enzymatic catalysis is a core focus of this book. Although well suited for active researchers, the book as a whole, as well as each chapter on its own, can be used as fundamental reference material for graduate and undergraduate students throughout chemistry, physics, biophysics and biomedicine
ISBN,Price9783030825034
Keyword(s)1. Biomolecules 2. BIOPHYSICS 3. CONDENSED MATTER 4. CRYSTALLOGRAPHY 5. Crystallography and Scattering Methods 6. EBOOK 7. EBOOK - SPRINGER 8. MOLECULAR BIOPHYSICS 9. MOLECULAR DYNAMICS 10. SPECTROSCOPY 11. SPECTRUM ANALYSIS 12. Structure of Condensed Matter
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TitleTime-Resolved Soft X-Ray Absorption Spectroscopy of Molecules in the Gas and Liquid Phases
Author(s)Schmidt, C??dric
PublicationCham, Springer International Publishing, 2021.
DescriptionXVI, 119 p. 40 illus., 35 illus. in color : online resource
Abstract NoteThis work studies the relaxation dynamics of molecules in both the gas and liquid phases after strong field ionization, using transient absorption in the soft X-rays. In particular, the thesis presents the first realization of time-resolved X-ray absorption spectroscopy in the spectral water window with a laser-based HHG source. These remarkable experiments were not only performed for isolated molecules, but also in liquids, for which the spectral coverage of the K-edges of C, N, and O are of primary importance for investigating biological molecules. The technique relies on the generation of high-order harmonics to further probe the electronic structure of molecules. Using the atomic selectivity of high energies and the temporal coherence of laser technology, we demonstrate the observation of the first stages of chemical transformation of matter in the gas and liquid phases.
ISBN,Price9783030678388
Keyword(s)1. BIOCHEMISTRY 2. Biomolecules 3. BIOPHYSICS 4. EBOOK 5. EBOOK - SPRINGER 6. Laser-Matter Interaction 7. LASERS 8. MOLECULAR BIOPHYSICS 9. Single-Molecule Biophysics 10. X-RAY SPECTROSCOPY
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