Physics Based And Data Driven Mulitiscale Modeling Of The Structural Formation In Macromolecular Systems
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Physics Based And Data Driven Mulitiscale Modeling Of The Structural Formation In Macromolecular Systems
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Author : Philipp Nicolas Depta
language : en
Publisher:
Release Date : 2024
Physics Based And Data Driven Mulitiscale Modeling Of The Structural Formation In Macromolecular Systems written by Philipp Nicolas Depta and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024 with categories.
Physics Based And Data Driven Mulitiscale Modeling Of The Structural Formation In Macromolecular Systems Band 25
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Author : Philipp Nicolas Depta
language : en
Publisher: Cuvillier Verlag
Release Date : 2024-02-27
Physics Based And Data Driven Mulitiscale Modeling Of The Structural Formation In Macromolecular Systems Band 25 written by Philipp Nicolas Depta and has been published by Cuvillier Verlag this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-02-27 with categories.
In order to improve knowledge on macromolecular structural formation and self-assembly, this work proposes a physics-based and data-driven multiscale modeling framework capable of describing structural formation on micro-meter and milli-second scales near molecular-level precision. The framework abstracts macromolecules as anisotropic unit objects and models the interactions and environment using data-driven approaches. The models are parameterized in a bottom-up fashion and validated top-down by comparison with literature and collaborator data for self-assembly of three model system: alginate gelation, hepatitis B virus capsids, and the pyruvate dehydrogenase complex.
Dispersity Structure And Phase Changes Of Proteins And Bio Agglomerates In Biotechnological Processes
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Author : Arno Kwade
language : en
Publisher: Springer Nature
Release Date : 2024-09-26
Dispersity Structure And Phase Changes Of Proteins And Bio Agglomerates In Biotechnological Processes written by Arno Kwade and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-09-26 with Science categories.
This book serves as a comprehensive summary of the priority program SPP 1934, which focused on understanding the dispersity, structure, and phase changes of proteins and bio-agglomerates in biotechnological processes. Through contributions from various research groups, the program explored how sensitive proteins and bio-agglomerates are affected by the process environment during fermentation, downstream processing, and formulation. It investigated these effects across three size scales: microscale, encompassing single proteins, clusters, crystals, and virus-like particles; mesoscale, focusing on cells and cell clusters; and macroscale, examining overall process dynamics. The main objective was to enhance biotechnological process chains by elucidating the mechanical, thermal, and chemical stresses that impact protein and bio-agglomerate structures. By gaining insights into these stressors, the program aimed to enable precise control measures to mitigate denaturation and unfavorable growth of proteins and cells. This compilation seeks to contribute to the optimization of biotechnological processes, facilitating advancements in various industries.
High Performance Computing In Science And Engineering 22
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Author : Wolfgang E. Nagel
language : en
Publisher: Springer Nature
Release Date : 2024-04-02
High Performance Computing In Science And Engineering 22 written by Wolfgang E. Nagel and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-04-02 with Mathematics categories.
This book presents the state-of-the-art in supercomputer simulation. It includes the latest findings from leading researchers using systems from the High Performance Computing Center Stuttgart (HLRS) in 2022. The reports cover all fields of computational science and engineering ranging from CFD to computational physics and from chemistry to computer science with a special emphasis on industrially relevant applications. Presenting findings of one of Europe’s leading systems, this volume covers a wide variety of applications that deliver a high level of sustained performance. The book covers the main methods in high-performance computing. Its outstanding results in achieving the best performance for production codes are of particular interest for both scientists and engineers. The book comes with a wealth of color illustrations and tables of results.
Multiscale Modeling From Macromolecules To Cell Opportunities And Challenges Of Biomolecular Simulations
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Author : Valentina Tozzini
language : en
Publisher: Frontiers Media SA
Release Date : 2020-10-27
Multiscale Modeling From Macromolecules To Cell Opportunities And Challenges Of Biomolecular Simulations written by Valentina Tozzini 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 2020-10-27 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.
Design And Modeling For Computer Experiments
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Author : Kai-Tai Fang
language : en
Publisher: CRC Press
Release Date : 2005-10-14
Design And Modeling For Computer Experiments written by Kai-Tai Fang and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2005-10-14 with Mathematics categories.
Computer simulations based on mathematical models have become ubiquitous across the engineering disciplines and throughout the physical sciences. Successful use of a simulation model, however, requires careful interrogation of the model through systematic computer experiments. While specific theoretical/mathematical examinations of computer experim
Principles Of Multiscale Modeling
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Author : Weinan E
language : en
Publisher: Cambridge University Press
Release Date : 2011-07-07
Principles Of Multiscale Modeling written by Weinan E and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-07-07 with Mathematics categories.
A systematic discussion of the fundamental principles, written by a leading contributor to the field.
Multiscale Dynamics Simulations
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Author : Dennis R. Salahub
language : en
Publisher: Royal Society of Chemistry
Release Date : 2021-09-24
Multiscale Dynamics Simulations written by Dennis R. Salahub 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 2021-09-24 with Science categories.
Over the past decade, great strides have been taken in developing methodologies that can treat more and more complex nano- and nano-bio systems embedded in complex environments. Multiscale Dynamics Simulations covers methods including DFT/MM-MD, DFTB and semi-empirical QM/MM-MD, DFT/MMPOL as well as Machine-learning approaches to all of the above. Focusing on key methodological breakthroughs in the field, this book provides newcomers with a comprehensive menu of multiscale modelling options so that they can better chart their course in the nano/bio world.
Multiscale Thermo Dynamics
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Author : Michal Pavelka
language : en
Publisher: Walter de Gruyter GmbH & Co KG
Release Date : 2018-08-06
Multiscale Thermo Dynamics written by Michal Pavelka and has been published by Walter de Gruyter GmbH & Co KG this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-08-06 with Science categories.
One common feature of new emerging technologies is the fusion of the very small (nano) scale and the large scale engineering. The classical environment provided by single scale theories, as for instance by the classical hydrodynamics, is not anymore satisfactory. The main challenge is to keep the important details while still be able to keep the overall picture and simplicity. It is the thermodynamics that addresses this challenge. Our main reason for writing this book is to explain such general viewpoint of thermodynamics and to illustrate it on a very wide range of examples. Contents Levels of description Hamiltonian mechanics Irreversible evolution Reversible and irreversible evolution Multicomponent systems Contact geometry Appendix: Mathematical aspects
Protein Self Assembly
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Author : Jennifer J. McManus
language : en
Publisher: Humana
Release Date : 2020-08-08
Protein Self Assembly written by Jennifer J. McManus and has been published by Humana this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-08-08 with Science categories.
This volume explores experimental and computational approaches to measuring the most widely studied protein assemblies, including condensed liquid phases, aggregates, and crystals. The chapters in this book are organized into three parts: Part One looks at the techniques used to measure protein-protein interactions and equilibrium protein phases in dilute and concentrated protein solutions; Part Two describes methods to measure kinetics of aggregation and to characterize the assembled state; and Part Three details several different computational approaches that are currently used to help researchers understand protein self-assembly. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and tips on troubleshooting and avoiding known pitfalls. Thorough and cutting-edge, Protein Self-Assembly: Methods and Protocols is a valuable resource for researchers who are interested in learning more about this developing field.