Innovations In Biomolecular Modeling And Simulations


Innovations In Biomolecular Modeling And Simulations
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Innovations In Biomolecular Modeling And Simulations


Innovations In Biomolecular Modeling And Simulations
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Author : Tamar Schlick
language : en
Publisher: Royal Society of Chemistry
Release Date : 2012

Innovations In Biomolecular Modeling And Simulations written by Tamar Schlick and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012 with Biomolecules categories.


This two volume set describes innovations in biomolecular modeling and simulation, in both the algorithmic and application fronts.



Innovations In Biomolecular Modeling And Simulations


Innovations In Biomolecular Modeling And Simulations
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Author : Tamar Schlick
language : en
Publisher: Royal Society of Chemistry
Release Date : 2012-05-24

Innovations In Biomolecular Modeling And Simulations written by Tamar Schlick and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-05-24 with Science categories.


The chemical and biological sciences face unprecedented opportunities in the 21st century. A confluence of factors from parallel universes - advances in experimental techniques in biomolecular structure determination, progress in theoretical modeling and simulation for large biological systems, and breakthroughs in computer technology - has opened new avenues of opportunity as never before. Now, experimental data can be interpreted and further analysed by modeling, and predictions from any approach can be tested and advanced through companion methodologies and technologies. This two volume set describes innovations in biomolecular modeling and simulation, in both the algorithmic and application fronts. With contributions from experts in the field, the books describe progress and innovation in areas including: simulation algorithms for dynamics and enhanced configurational sampling, force field development, implicit solvation models, coarse-grained models, quantum-mechanical simulations, protein folding, DNA polymerase mechanisms, nucleic acid complexes and simulations, RNA structure analysis and design and other important topics in structural biology modeling. The books are aimed at graduate students and experts in structural biology and chemistry and the emphasis is on reporting innovative new approaches rather than providing comprehensive reviews on each subject.



Innovations In Biomolecular Modeling And Simulations Personal Perspective


Innovations In Biomolecular Modeling And Simulations Personal Perspective
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Author : Tamar Schlick
language : en
Publisher:
Release Date : 2012

Innovations In Biomolecular Modeling And Simulations Personal Perspective written by Tamar Schlick and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012 with Biomolecules categories.


This two volume set describes innovations in biomolecular modeling and simulation, in both the algorithmic and application fronts.



Foundations Of Molecular Modeling And Simulation


Foundations Of Molecular Modeling And Simulation
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Author : Edward J. Maginn
language : en
Publisher: Springer Nature
Release Date : 2021-03-25

Foundations Of Molecular Modeling And Simulation written by Edward J. Maginn and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-03-25 with Science categories.


This highly informative and carefully presented book comprises select proceedings of Foundation for Molecular Modelling and Simulation (FOMMS 2018). The contents are written by invited speakers centered on the theme Innovation for Complex Systems. It showcases new developments and applications of computational quantum chemistry, statistical mechanics, molecular simulation and theory, and continuum and engineering process simulation. This volume will serve as a useful reference to researchers, academicians and practitioners alike.



Innovations In Modeling And Simulation To Advance Translational Science


Innovations In Modeling And Simulation To Advance Translational Science
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Author : Melissa Knothe Tate
language : en
Publisher: Frontiers Media SA
Release Date : 2020-12-15

Innovations In Modeling And Simulation To Advance Translational Science written by Melissa Knothe Tate and has been published by Frontiers Media SA this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-12-15 with Science categories.


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.



Molecular Modeling And Simulation


Molecular Modeling And Simulation
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Author : Tamar Schlick
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-04-18

Molecular Modeling And Simulation written by Tamar Schlick and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-04-18 with Science categories.


Very broad overview of the field intended for an interdisciplinary audience; Lively discussion of current challenges written in a colloquial style; Author is a rising star in this discipline; Suitably accessible for beginners and suitably rigorous for experts; Features extensive four-color illustrations; Appendices featuring homework assignments and reading lists complement the material in the main text



Molecular Dynamics Simulation


Molecular Dynamics Simulation
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Author : Kun Zhou
language : en
Publisher: Academic Press
Release Date : 2022-02-10

Molecular Dynamics Simulation written by Kun Zhou and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-02-10 with Technology & Engineering categories.


Molecular Dynamic Simulation: Fundamentals and Applications explains the basic principles of MD simulation and explores its recent developments and roles in advanced modeling approaches. The implementation of MD simulation and its application to various aspects of materials science and engineering including mechanical, thermal, mass transportation, and physical/chemical reaction problems are illustrated. Innovative modeling techniques that apply MD to explore the mechanics of typical nanomaterials and nanostructures and to characterize crystalline, amorphous, and liquid systems are also presented. The rich research experience of the authors in MD simulation will ensure that the readers are provided with both an in-depth understanding of MD simulation and clear technical guidance. Provides a comprehensive overview of the underlying theories of molecular dynamics (MD) simulation Presents application-based examples pertaining to a broad range of mechanical, thermal, and mass transport problems Explores innovative modeling techniques for simulating typical nanomaterials and nanostructures and for characterizing crystalline, amorphous, and liquid systems



Computational Modeling And Simulations Of Biomolecular Systems


Computational Modeling And Simulations Of Biomolecular Systems
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Author : Benoit Roux
language : en
Publisher: World Scientific
Release Date : 2021-08-23

Computational Modeling And Simulations Of Biomolecular Systems written by Benoit Roux and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-08-23 with Computers categories.


This textbook originated from the course 'Simulation, Modeling, and Computations in Biophysics' that I have taught at the University of Chicago since 2011. The students typically came from a wide range of backgrounds, including biology, physics, chemistry, biochemistry, and mathematics, and the course was intentionally adapted for senior undergraduate students and graduate students. This is not a highly technical book dedicated to specialists. The objective is to provide a broad survey from the physical description of a complex molecular system at the most fundamental level, to the type of phenomenological models commonly used to represent the function of large biological macromolecular machines.The key conceptual elements serving as building blocks in the formulation of different levels of approximations are introduced along the way, aiming to clarify as much as possible how they are interrelated. The only assumption is a basic familiarity with simple mathematics (calculus and integrals, ordinary differential equations, matrix linear algebra, and Fourier-Laplace transforms).



Advances In Computational Modeling And Simulation


Advances In Computational Modeling And Simulation
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Author : Rallapalli Srinivas
language : en
Publisher: Springer Nature
Release Date : 2022-02-15

Advances In Computational Modeling And Simulation written by Rallapalli Srinivas and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-02-15 with Computers categories.


The book presents select proceedings of Global meet on ‘Computational Modelling and Simulation, Recent Innovations, Challenges and Perspectives, 2020. This book covers leading-edge technologies from different domains such as computation in optimization and control, multiscale and multiphysics modeling and computation analysis, environmental modeling, modeling approaches to enterprise systems and services, finite element analysis, dependability and security, high-performance computation/cloud computing applications, computational biology and chemistry and computational mechanics. The primary goal of this book is to strengthen pre-eminence in computational modeling and simulation by catalyzing the transformative use of innovative developments in a wide range of disciplines to achieve lasting societal impact. The book discusses on how to perform simulation of large complex dynamic systems in an efficient manner using advanced computational analysis. The inter-disciplinary nature of the book would be a valuable reference for academicians and research scientists, industrialists interested in modelling and simulation driven by computational technology.



Computational Methods To Study The Structure And Dynamics Of Biomolecules And Biomolecular Processes


Computational Methods To Study The Structure And Dynamics Of Biomolecules And Biomolecular Processes
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Author : Adam Liwo
language : en
Publisher: Springer
Release Date : 2018-12-19

Computational Methods To Study The Structure And Dynamics Of Biomolecules And Biomolecular Processes written by Adam Liwo and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-12-19 with Technology & Engineering categories.


This book provides a comprehensive overview of modern computer-based techniques for analyzing the structure, properties and dynamics of biomolecules and biomolecular processes. It is organized in four main parts; the first one deals with methodology of molecular simulations; the second one with applications of molecular simulations; the third one introduces bioinformatics methods and the use of experimental information in molecular simulations; the last part reports on selected applications of molecular quantum mechanics. This second edition has been thoroughly revised and updated to include the latest progresses made in the respective field of research.