The Mapping Problem In Coarse Grained Modelling Of Biomolecules

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The Mapping Problem In Coarse Grained Modelling Of Biomolecules

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Author :
language : en
Publisher: Marco Giulini
Release Date : 2022-05-16

The Mapping Problem In Coarse Grained Modelling Of Biomolecules written by and has been published by Marco Giulini this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-05-16 with Science categories.

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.

Chemical Theory And Multiscale Simulation In Biomolecules

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Author : Guohui Li
language : en
Publisher: Elsevier
Release Date : 2024-03-29

Chemical Theory And Multiscale Simulation In Biomolecules written by Guohui Li and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-03-29 with Science categories.

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

Coarse Grained Modeling Of Biomolecules

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Author : Garegin A. Papoian
language : en
Publisher: CRC Press
Release Date : 2017-10-30

Coarse Grained Modeling Of Biomolecules written by Garegin A. Papoian and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-10-30 with Science categories.

"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.

Functional Properties Of Advanced Engineering Materials And Biomolecules

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Author : Felipe A. La Porta
language : en
Publisher: Springer Nature
Release Date : 2021-05-17

Functional Properties Of Advanced Engineering Materials And Biomolecules written by Felipe A. La Porta and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-05-17 with Technology & Engineering categories.

This book shows how a small toolbox of experimental techniques, physical chemistry concepts as well as quantum/classical mechanics and statistical methods can be used to understand, explain and even predict extraordinary applications of these advanced engineering materials and biomolecules. It highlights how improving the material foresight by design, including the fundamental understanding of their physical and chemical properties, can provide new technological levels in the future.

Machine Learning Methodologies To Study Molecular Interactions

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Author : Elif Ozkirimli
language : en
Publisher: Frontiers Media SA
Release Date : 2022-01-21

Machine Learning Methodologies To Study Molecular Interactions written by Elif Ozkirimli 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 2022-01-21 with Science categories.

Dr. Elif Ozkirimli is a full time employee of F. Hoffmann-La Roche AG, Switzerland and Dr. Artur Yakimovich is a full time employee of Roche Products Limited, UK. All other Topic Editors declare no competing interests with regards to the Research Topic.

Coarse Grained Modeling Of Biomolecules

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Author : Garegin A. Papoian
language : en
Publisher: CRC Press
Release Date : 2017-10-30

Coarse Grained Modeling Of Biomolecules written by Garegin A. Papoian and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-10-30 with Science categories.

"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.

Advance In Structural Bioinformatics

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Author : Dongqing Wei
language : en
Publisher: Springer
Release Date : 2014-11-11

Advance In Structural Bioinformatics written by Dongqing Wei and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-11-11 with Science categories.

This text examines in detail mathematical and physical modeling, computational methods and systems for obtaining and analyzing biological structures, using pioneering research cases as examples. As such, it emphasizes programming and problem-solving skills. It provides information on structure bioinformatics at various levels, with individual chapters covering introductory to advanced aspects, from fundamental methods and guidelines on acquiring and analyzing genomics and proteomics sequences, the structures of protein, DNA and RNA, to the basics of physical simulations and methods for conformation searches. This book will be of immense value to researchers and students in the fields of bioinformatics, computational biology and chemistry. Dr. Dongqing Wei is a Professor at the Department of Bioinformatics and Biostatistics, College of Life Science and Biotechnology, Shanghai Jiaotong University, Shanghai, China. His research interest is in the general area of structural bioinformatics.

Combining Simulations Theory And Experiments Into Multiscale Models Of Biological Events

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Author : Fabio Trovato
language : en
Publisher: Frontiers Media SA
Release Date : 2022-01-11

Combining Simulations Theory And Experiments Into Multiscale Models Of Biological Events written by Fabio Trovato 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 2022-01-11 with Science categories.

Artificial Intelligence In Bioinformatics And Chemoinformatics

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Author : Yashwant Pathak
language : en
Publisher: CRC Press
Release Date : 2023-10-11

Artificial Intelligence In Bioinformatics And Chemoinformatics written by Yashwant Pathak and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-10-11 with Medical categories.

The authors aim to shed light on the practicality of using machine learning in finding complex chemoinformatics and bioinformatics applications as well as identifiying AI in biological and chemical data points. The chapters are designed in such a way that they highlight the important role of AI in chemistry and bioinformatics particularly for the classification of diseases, selection of features and compounds, dimensionality reduction and more. In addition, they assist in the organization and optimal use of data points generated from experiments performed using AI techniques. This volume discusses the development of automated tools and techniques to aid in research plans. Features Covers AI applications in bioinformatics and chemoinformatics Demystifies the involvement of AI in generating biological and chemical data Provides an Introduction to basic and advanced chemoinformatics computational tools Presents a chemical biology based toolset for artificial intelligence usage in drug design Discusses computational methods in cancer, genome mapping, and stem cell research