Computational Materials And Biological Sciences

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Computational Materials And Biological Sciences

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Author : Kholmirzo T. Kholmurodov
language : en
Publisher:
Release Date : 2015

Computational Materials And Biological Sciences written by Kholmirzo T. Kholmurodov and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015 with SCIENCE categories.

In this book, original papers have been collected to demonstrate the efficient use of computer molecular dynamics simulation methods for the studying of nanoscale phenomena in the materials and life sciences. This book discusses modern molecular simulation methods for the study of molecular shape and properties in protein and polymer engineering, drugs and materials design, structure-function relationships, and related issues. This book contains the Proceedings of the MSSMBS-2014 and DSCMBS-2014 International Workshops which have been organized by the Joint Institute for Nuclear Research, the Institute of Bioorganic Chemistry of the Russian Academy of Sciences and S.U. Umarov Physical-Technical Institute of the Academy of Sciences of the Republic of Tajikistan. The research topics discussed in the MSSMBS'14 & DSCMBS'14 International Workshops are as follows: computer molecular simulation methods and approaches; molecular dynamics and Monte-Carlo techniques; modeling of biological molecules; physical and biochemical systems; material fabrication and design; drug design in medicine; computational and computing physics, chemistry, biology and medicine; GPU accelerated molecular dynamics and related techniques.

Computational Chemistry Methodology In Structural Biology And Materials Sciences

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Author : Tanmoy Chakraborty
language : en
Publisher: CRC Press
Release Date : 2017-10-03

Computational Chemistry Methodology In Structural Biology And Materials Sciences written by Tanmoy Chakraborty and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-10-03 with Science categories.

Computational Chemistry Methodology in Structural Biology and Materials Sciences provides a selection of new research in theoretical and experimental chemistry, focusing on topics in the materials science and biological activity. Part 1, on Computational Chemistry Methodology in Biological Activity, of the book emphasizes presents new developments in the domain of theoretical and computational chemistry and its applications to bioactive molecules. It looks at various aspects of density functional theory and other issues. Part 2, on Computational Chemistry Methodology in Materials Science, presents informative new research on computational chemistry as applied to materials science. The wide range of topics regarding the application of theoretical and experimental chemistry and materials science and biological domain will be valuable in the context of addressing contemporary research problems.

Computational Materials Chemistry And Biochemistry From Bold Initiatives To The Last Mile

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Author : Sadasivan Shankar
language : en
Publisher: Springer Nature
Release Date : 2021-01-25

Computational Materials Chemistry And Biochemistry From Bold Initiatives To The Last Mile written by Sadasivan Shankar and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-01-25 with Technology & Engineering categories.

This book provides a broad and nuanced overview of the achievements and legacy of Professor William (“Bill”) Goddard in the field of computational materials and molecular science. Leading researchers from around the globe discuss Goddard’s work and its lasting impacts, which can be seen in today’s cutting-edge chemistry, materials science, and biology techniques. Each section of the book closes with an outline of the prospects for future developments. In the course of a career spanning more than 50 years, Goddard’s seminal work has led to dramatic advances in a diverse range of science and engineering fields. Presenting scientific essays and reflections by students, postdoctoral associates, collaborators and colleagues, the book describes the contributions of one of the world’s greatest materials and molecular scientists in the context of theory, experimentation, and applications, and examines his legacy in each area, from conceptualization (the first mile) to developments and extensions aimed at applications, and lastly to de novo design (the last mile). Goddard’s passion for science, his insights, and his ability to actively engage with his collaborators in bold initiatives is a model for us all. As he enters his second half-century of scientific research and education, this book inspires future generations of students and researchers to employ and extend these powerful techniques and insights to tackle today’s critical problems in biology, chemistry, and materials. Examples highlighted in the book include new materials for photocatalysts to convert water and CO2 into fuels, novel catalysts for the highly selective and active catalysis of alkanes to valuable organics, simulating the chemistry in film growth to develop two-dimensional functional films, and predicting ligand–protein binding and activation to enable the design of targeted drugs with minimal side effects.

Computational Modeling From Chemistry To Materials To Biology Proceedings Of The 25th Solvay Conference On Chemistry

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Author : Kurt Wuthrich
language : en
Publisher: World Scientific
Release Date : 2020-12-21

Computational Modeling From Chemistry To Materials To Biology Proceedings Of The 25th Solvay Conference On Chemistry written by Kurt Wuthrich and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-12-21 with Science categories.

Chaired by K Wüthrich (Nobel Laureate in Chemistry, 2002) and co-chaired by B Weckhuysen, this by-invitation-only conference has gathered 39 participants — who are leaders in the field of computational modeling and its applications in Chemistry, Material Sciences and Biology. Highlights of the Conference Proceedings are short, prepared statements by all the participants and the records of lively discussions on the current and future perspectives in the field of computational modeling, from chemistry to materials to biology.

Quantum Simulations Of Materials And Biological Systems

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Author : Jun Zeng
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-07-26

Quantum Simulations Of Materials And Biological Systems written by Jun Zeng 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 2012-07-26 with Science categories.

Quantum Simulations of Materials and Biological Systems features contributions from leading world experts in the fields of density functional theory (DFT) and its applications to material and biological systems. The recent developments of correlation functionals, implementations of Time-dependent algorithm into DFTB+ method are presented. The applications of DFT method to large materials and biological systems such as understanding of optical and electronic properties of nanoparticles, X-ray structure refinement of proteins, the catalytic process of enzymes and photochemistry of phytochromes are detailed. In addition, the book reviews the recent developments of methods for protein design and engineering, as well as ligand-based drug design. Some insightful information about the 2011 International Symposium on Computational Sciences is also provided. Quantum Simulations of Materials and Biological Systems is aimed at faculties and researchers in the fields of computational physics, chemistry and biology, as well as at the biotech and pharmaceutical industries.

Computational Materials Chemistry And Biochemistry From Bold Initiatives To The Last Mile

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Author : Sadasivan Shankar
language : en
Publisher:
Release Date : 2021

Computational Materials Chemistry And Biochemistry From Bold Initiatives To The Last Mile written by Sadasivan Shankar and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021 with categories.

This book provides a broad and nuanced overview of the achievements and legacy of Professor William ("Bill") Goddard in the field of computational materials and molecular science. Leading researchers from around the globe discuss Goddard's work and its lasting impacts, which can be seen in today's cutting-edge chemistry, materials science, and biology techniques. Each section of the book closes with an outline of the prospects for future developments. In the course of a career spanning more than 50 years, Goddard's seminal work has led to dramatic advances in a diverse range of science and engineering fields. Presenting scientific essays and reflections by students, postdoctoral associates, collaborators and colleagues, the book describes the contributions of one of the world's greatest materials and molecular scientists in the context of theory, experimentation, and applications, and examines his legacy in each area, from conceptualization (the first mile) to developments and extensions aimed at applications, and lastly to de novo design (the last mile). Goddard's passion for science, his insights, and his ability to actively engage with his collaborators in bold initiatives is a model for us all. As he enters his second half-century of scientific research and education, this book inspires future generations of students and researchers to employ and extend these powerful techniques and insights to tackle today's critical problems in biology, chemistry, and materials. Examples highlighted in the book include new materials for photocatalysts to convert water and CO2 into fuels, novel catalysts for the highly selective and active catalysis of alkanes to valuable organics, simulating the chemistry in film growth to develop two-dimensional functional films, and predicting ligand-protein binding and activation to enable the design of targeted drugs with minimal side effects.

Computational Cell Biology

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Author : Christopher P. Fall
language : en
Publisher: Springer Science & Business Media
Release Date : 2007-06-04

Computational Cell Biology written by Christopher P. Fall 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 2007-06-04 with Science categories.

This textbook provides an introduction to dynamic modeling in molecular cell biology, taking a computational and intuitive approach. Detailed illustrations, examples, and exercises are included throughout the text. Appendices containing mathematical and computational techniques are provided as a reference tool.

Biocomputing

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Author : Phillip A. Laplante
language : en
Publisher: Nova Publishers
Release Date : 2003

Biocomputing written by Phillip A. Laplante and has been published by Nova Publishers this book supported file pdf, txt, epub, kindle and other format this book has been release on 2003 with Computers categories.

Since the mid-1990s advances in DNA sequencing have enhanced our understanding of humanity and all living things. Driven by these advances, the closely related sciences of Bioinformatics and Biocomputing have become the ultimate interdisciplinary study areas, forever blurring the lines between engineering, biology and computer science and bringing together researchers who ordinarily wouldn't interact. While Bioinformatics largely focuses on the analysis, prediction, imaging and sequencing of genes, the broader, interdisciplinary field of Biocomputing includes the study of biological models of computing using traditional materials, genomic modelling and visualisation, biomaterials for non-traditional computer designs and computer architectures for those materials. In addition, Biocomputing uses the principles and tools of computer science to model or algorithmically specify complex biological information systems and computational systems with life-like capabilities. Biocomputing has manifested numerous government multi-agency programs, including the Human Genome Project, the High Performance Computing & Communications (HPCC) initiative, the Human Brain Project, and other related programs such as the National Information Infrastructure and Digital Libraries initiatives, which have strong bio-related components. This book brings together the latest research in this fast-growing field.

Topics In Computational Materials Science

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Author : Ching-yao Fong
language : en
Publisher: World Scientific
Release Date : 1998

Topics In Computational Materials Science written by Ching-yao Fong and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 1998 with Technology & Engineering categories.

This book describes the state-of-the-art research topics in theoretical materials science. It encompasses the computational methods and techniques which can advance more realistic calculations for understanding the physical principles in new growth methods of optoelectronic materials and related surface problems. These principles also govern the photonic, electronic, and structural properties of materials which are essential for device applications. They will also provide the crucial ingredients for the growth of future novel materials.

Engineered Living Materials

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Author : Wil V. Srubar III
language : en
Publisher: Springer Nature
Release Date : 2022-02-16

Engineered Living Materials written by Wil V. Srubar III and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-02-16 with Science categories.

This book will serve as a primer for readers to understand recent advances, applications, and current challenges in the field of Engineered Living Materials. The chapters cover core science and engineering research areas, including (1) advances in synthetic biology and genetic programmability for Engineered Living Materials, (2) functional Engineered Living Material for application in energy, electronics, and construction, and (3) novel manufacturing approaches for Engineered Living Materials at multiple scales. The emerging field of Engineered Living Materials represents a significant paradigm shift in materials design and synthesis, in which living cells are used to impart biologically active functionalities to manmade materials. The result is a genetically programmable augmentation of non-living matter to exhibit unprecedented life-like (i.e., living) capabilities. At the intersection of synthetic biology and materials science, the field of Engineered Living Materials exhibits unprecedented promise and potential to alter the way we synthesize new materials and design medical devices, fabrics, robotics, commodity polymers, and construction materials. Materials with attributes of living systems can be engineered with an ability to respond to their environment and designed to self-repair in response to physical or other stresses or detect the presence of specific stimuli, such as light, heat, pressure, or hazardous chemical compounds. Although nascent, scientists and researchers in the field of Engineered Living Materials have made marked advances in demonstrating a potential to revolutionize a multitude of science and engineering disciplines. This volume will define the current state of the art of Engineered Living Materials, and highlight grand opportunities and challenges that abound at the nexus of synthetic biology and materials science and engineering.