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Computational Materials and Biological Sciences

2015 SCIENCE
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Release : 2015
Genre : SCIENCE
Kind : eBook
Book Rating : 719/5 ( reviews)

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Book Synopsis Computational Materials and Biological Sciences by : Kholmirzo T. Kholmurodov

Download or read book Computational Materials and Biological Sciences written by Kholmirzo T. Kholmurodov. This book was released on 2015. Available in PDF, EPUB and Kindle. Book excerpt: 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

2017-10-03 Science
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Release : 2017-10-03
Genre : Science
Kind : eBook
Book Rating : 696/5 ( reviews)

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Book Synopsis Computational Chemistry Methodology in Structural Biology and Materials Sciences by : Tanmoy Chakraborty

Download or read book Computational Chemistry Methodology in Structural Biology and Materials Sciences written by Tanmoy Chakraborty. This book was released on 2017-10-03. Available in PDF, EPUB and Kindle. Book excerpt: 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

2021-01-25 Technology & Engineering
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Release : 2021-01-25
Genre : Technology & Engineering
Kind : eBook
Book Rating : 780/5 ( reviews)

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Book Synopsis Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile by : Sadasivan Shankar

Download or read book Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile written by Sadasivan Shankar. This book was released on 2021-01-25. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Biological Materials Science

2014-07-31 Medical
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Release : 2014-07-31
Genre : Medical
Kind : eBook
Book Rating : 454/5 ( reviews)

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Book Synopsis Biological Materials Science by : Marc André Meyers

Download or read book Biological Materials Science written by Marc André Meyers. This book was released on 2014-07-31. Available in PDF, EPUB and Kindle. Book excerpt: Takes a materials science approach, correlating structure-property relationships with function across a broad range of biological materials.

Quantum Simulations of Materials and Biological Systems

2012-07-26 Science
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Release : 2012-07-26
Genre : Science
Kind : eBook
Book Rating : 481/5 ( reviews)

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Book Synopsis Quantum Simulations of Materials and Biological Systems by : Jun Zeng

Download or read book Quantum Simulations of Materials and Biological Systems written by Jun Zeng. This book was released on 2012-07-26. Available in PDF, EPUB and Kindle. Book excerpt: 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.

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