Multiscale Modeling From Macromolecules to Cell: Opportunities and Challenges of Biomolecular Simulations

Multiscale Modeling From Macromolecules to Cell: Opportunities and Challenges of Biomolecular Simulations

Author: Valentina Tozzini

Publisher: Frontiers Media SA

Published: 2020-10-27

Total Pages: 235

ISBN-13: 2889661091

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This eBook is a collection of articles from a Frontiers Research Topic. Frontiers Research Topics are very popular trademarks of the Frontiers Journals Series: they are collections of at least ten articles, all centered on a particular subject. With their unique mix of varied contributions from Original Research to Review Articles, Frontiers Research Topics unify the most influential researchers, the latest key findings and historical advances in a hot research area! Find out more on how to host your own Frontiers Research Topic or contribute to one as an author by contacting the Frontiers Editorial Office: frontiersin.org/about/contact.


Multidisciplinary Approaches to The FLASH Radiotherapy

Multidisciplinary Approaches to The FLASH Radiotherapy

Author: Fabio Di Martino

Publisher: Frontiers Media SA

Published: 2024-06-28

Total Pages: 140

ISBN-13: 2832550940

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Radiotherapy (RT) is a cornerstone of cancer treatment, being routinely used for approximately half of cancer patients in high-income countries. Despite the extensive use of RT for over 60 years, its toxicity on normal tissues often limits the treatment of radioresistant tumors and is responsible for significant decrease in patient’s quality of life. However, it was recently established that ultra-high dose rate (UHDR) irradiation induces significantly less normal tissues toxicities, while keeping similar antitumor effect compared to conventional dose rate irradiation. This so called “FLASH Effect" was demonstrated in vivo on different animal models and different organs by delivering the total amount of radiation dose in a very short time ( usually <200 ms), with average dose rates above 40 Gy/s and with different particles including electrons, protons and photons.


Chemical Theory and Multiscale Simulation in Biomolecules

Chemical Theory and Multiscale Simulation in Biomolecules

Author: Guohui Li

Publisher: Elsevier

Published: 2024-03-29

Total Pages: 399

ISBN-13: 0323959180

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Chemical Theory and Multiscale Simulation in Biomolecules: From Principles to Case Studies helps readers understand what simulation is, what information modeling of biomolecules can provide, and how to compare this information with experiments. Beginning with an introduction to computational theory for modeling, the book goes on to describe how to control the conditions of modeling systems and possible strategies for time-cost savings in computation. Part Two further outlines key methods, with step-by-step guidance supporting readers in studying and practicing simulation processes. Part Three then shows how these theories are controlled and applied in practice, through examples and case studies on varied applications. This book is a practical guide for new learners, supporting them in learning and applying molecular modeling in practice, whilst also providing more experienced readers with the knowledge needed to gain a deep understanding of the theoretical background behind key methods. - Presents computational theory alongside case studies to help readers understand the use of simulation in practice - Includes extensive examples of different types of simulation methods and approaches to result analysis - Provides an overview of the current academic frontier and research challenges, encouraging creativity and directing attention to current problems


Dynamics of Systems on the Nanoscale

Dynamics of Systems on the Nanoscale

Author: Ilia A. Solov'yov

Publisher: Springer Nature

Published: 2022-06-03

Total Pages: 554

ISBN-13: 3030992918

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This book presents the structure formation and dynamics of animate and inanimate matter on the nanometre scale. This is a new interdisciplinary field known as Meso-Bio-Nano (MBN) science that lies at the intersection of physics, chemistry, biology and material science. Special attention in the book is devoted to investigations of the structure, properties and dynamics of complex MBN systems by means of photonic, electronic, heavy particle and atomic collisions. This includes problems of fusion and fission, fragmentation, surfaces and interfaces, reactivity, nanoscale phase and morphological transitions, irradiation-driven transformations of complex molecular systems, collective electron excitations, radiation damage and biodamage, channeling phenomena and many more. Emphasis in the book is placed on the theoretical and computational physics research advances in these areas and related state-of-the-art experiments. Particular attention in the book is devoted to the utilization of advanced computational techniques and high-performance computing in studies of the dynamics of systems.


Biomimetic Lipid Membranes: Fundamentals, Applications, and Commercialization

Biomimetic Lipid Membranes: Fundamentals, Applications, and Commercialization

Author: Fatma N. Kök

Publisher: Springer

Published: 2019-04-16

Total Pages: 324

ISBN-13: 3030115968

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This book compiles the fundamentals, applications and viable product strategies of biomimetic lipid membranes into a single, comprehensive source. It broadens its perspective to interdisciplinary realms incorporating medicine, biology, physics, chemistry, materials science, as well as engineering and pharmacy at large. The book guides readers from membrane structure and models to biophysical chemistry and functionalization of membrane surfaces. It then takes the reader through a myriad of surface-sensitive techniques before delving into cutting-edge applications that could help inspire new research directions. With more than half the world's drugs and various toxins targeting these crucial structures, the book addresses a topic of major importance in the field of medicine, particularly biosensor design, diagnostic tool development, vaccine formulation, micro/nano-array systems, and drug screening/development. Provides fundamental knowledge on biomimetic lipid membranes; Addresses some of biomimetic membrane types, preparation methods, properties and characterization techniques; Explains state-of-art technological developments that incorporate microfluidic systems, array technologies, lab-on-a-chip-tools, biosensing, and bioprinting techniques; Describes the integration of biomimetic membranes with current top-notch tools and platforms; Examines applications in medicine, pharmaceutical industry, and environmental monitoring.


Lipid Domains

Lipid Domains

Author:

Publisher: Academic Press

Published: 2015-06-08

Total Pages: 393

ISBN-13: 0128033274

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Current Topics in Membranes is targeted toward scientists and researchers in biochemistry and molecular and cellular biology, providing the necessary membrane research to assist them in discovering the current state of a particular field and in learning where that field is heading. This volume offers an up to date presentation of current knowledge in the field of Lipid Domains. - Written by leading experts - Contains original material, both textual and illustrative, that should become a very relevant reference material - The material is presented in a very comprehensive manner - Both researchers in the field and general readers should find relevant and up-to-date information


Computational Methods for Macromolecules: Challenges and Applications

Computational Methods for Macromolecules: Challenges and Applications

Author: Tamar Schlick

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 504

ISBN-13: 3642560806

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This special volume collects invited articles by participants of the Third International Workshop on Methods for Macromolecular Modeling, Courant Institute of Mathematical Sciences, Oct. 12-14, 2000. Leading developers of methods for biomolecular simulations review advances in Monte Carlo and molecular dynamics methods, free energy computational methods, fast electrostatics (particle-mesh Ewald and fast multipole methods), mathematics, and molecular neurobiology, nucleic acid simulations, enzyme reactions, and other essential applications in biomolecular simulations. A Perspectives article by the editors assesses the directions and impact of macromolecular modeling research, including genomics and proteomics. These reviews and original papers by applied mathematicians, theoretical chemists, biomedical researchers, and physicists are of interest to interdisciplinary research students, developers and users of biomolecular methods in academia and industry.


Coarse-Grained Modeling of Biomolecules

Coarse-Grained Modeling of Biomolecules

Author: Garegin A. Papoian

Publisher: CRC Press

Published: 2017-10-30

Total Pages: 430

ISBN-13: 1466576170

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"The chapters in this book survey the progress in simulating biomolecular dynamics.... The images conjured up by this work are not yet universally loved, but are beginning to bring new insights into the study of biological structure and function. The future will decide whether this scientific movement can bring forth its Picasso or Modigliani." –from the Foreword by Peter G. Wolynes, Bullard-Welch Foundation Professor of Science, Rice University This book highlights the state-of-art in coarse-grained modeling of biomolecules, covering both fundamentals as well as various cutting edge applications. Coarse-graining of biomolecules is an area of rapid advances, with numerous new force fields having appeared recently and significant progress made in developing a systematic theory of coarse-graining. The contents start with first fundamental principles based on physics, then survey specific state-of-art coarse-grained force fields of proteins and nucleic acids, and provide examples of exciting biological problems that are at large scale, and hence, only amenable to coarse-grained modeling. Introduces coarse-grained models of proteins and nucleic acids. Showcases applications such as genome packaging in nuclei and understanding ribosome dynamics Gives the physical foundations of coarse-graining Demonstrates use of models for large-scale assemblies in modern studies Garegin A. Papoian is the first Monroe Martin Associate Professor with appointments in the Department of Chemistry and Biochemistry and the Institute for Physical Science and Technology at the University of Maryland.


McGraw-Hill Yearbook of Science and Technology, 2010

McGraw-Hill Yearbook of Science and Technology, 2010

Author: McGraw-Hill

Publisher: McGraw Hill Professional

Published: 2009-12-22

Total Pages: 481

ISBN-13: 0071639284

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More than 150 articles explore the latest advances in science and technology For more than 45 years, this annual publication has made information on the latest trends and developments in science and technology accessible to non-specialists through concise, well-illustrated articles. Readers will find 150 articles from 200+ leaders in their respective fields covering disciplines from Astronomy to Zoology. The Yearbook will be of interest to students, writers, researchers, professionals, and general readers.


Principles of Multiscale Modeling

Principles of Multiscale Modeling

Author: Weinan E

Publisher: Cambridge University Press

Published: 2011-07-07

Total Pages: 485

ISBN-13: 1107096545

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A systematic discussion of the fundamental principles, written by a leading contributor to the field.