Optimization In Computational Chemistry And Molecular Biology

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Optimization In Computational Chemistry And Molecular Biology
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Author : Christodoulos A. Floudas
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-06-29
Optimization In Computational Chemistry And Molecular Biology written by Christodoulos A. Floudas 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 2013-06-29 with Computers categories.
Optimization in Computational Chemistry and Molecular Biology: Local and Global Approaches covers recent developments in optimization techniques for addressing several computational chemistry and biology problems. A tantalizing problem that cuts across the fields of computational chemistry, biology, medicine, engineering and applied mathematics is how proteins fold. Global and local optimization provide a systematic framework of conformational searches for the prediction of three-dimensional protein structures that represent the global minimum free energy, as well as low-energy biomolecular conformations. Each contribution in the book is essentially expository in nature, but of scholarly treatment. The topics covered include advances in local and global optimization approaches for molecular dynamics and modeling, distance geometry, protein folding, molecular structure refinement, protein and drug design, and molecular and peptide docking. Audience: The book is addressed not only to researchers in mathematical programming, but to all scientists in various disciplines who use optimization methods in solving problems in computational chemistry and biology.
Optimization In Computational Chemistry And Molecular Biology
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Author : Christodoulos A. Floudas
language : en
Publisher:
Release Date : 2014-01-15
Optimization In Computational Chemistry And Molecular Biology written by Christodoulos A. Floudas and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-01-15 with categories.
Computational Chemistry And Molecular Modeling
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Author : K. I. Ramachandran
language : en
Publisher: Springer Science & Business Media
Release Date : 2008-06-13
Computational Chemistry And Molecular Modeling written by K. I. Ramachandran 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 2008-06-13 with Science categories.
The gap between introductory level textbooks and highly specialized monographs is filled by this modern textbook. It provides in one comprehensive volume the in-depth theoretical background for molecular modeling and detailed descriptions of the applications in chemistry and related fields like drug design, molecular sciences, biomedical, polymer and materials engineering. Special chapters on basic mathematics and the use of respective software tools are included. Numerous numerical examples, exercises and explanatory illustrations as well as a web site with application tools (http://www.amrita.edu/cen/ccmm) support the students and lecturers.
Application Of Optimization Algorithms In Chemistry
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Author : Jorge M. C. Marques
language : en
Publisher: Frontiers Media SA
Release Date : 2020-06-08
Application Of Optimization Algorithms In Chemistry written by Jorge M. C. Marques 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 2020-06-08 with categories.
This eBook is dedicated to Prof. William L. Hase, who passed away on Monday, March 23, 2020.
Theory And Applications Of Computational Chemistry
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Author : Clifford Dykstra
language : en
Publisher: Elsevier
Release Date : 2011-10-13
Theory And Applications Of Computational Chemistry written by Clifford Dykstra and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-10-13 with Science categories.
Computational chemistry is a means of applying theoretical ideas using computers and a set of techniques for investigating chemical problems within which common questions vary from molecular geometry to the physical properties of substances. Theory and Applications of Computational Chemistry: The First Forty Years is a collection of articles on the emergence of computational chemistry. It shows the enormous breadth of theoretical and computational chemistry today and establishes how theory and computation have become increasingly linked as methodologies and technologies have advanced. Written by the pioneers in the field, the book presents historical perspectives and insights into the subject, and addresses new and current methods, as well as problems and applications in theoretical and computational chemistry. Easy to read and packed with personal insights, technical and classical information, this book provides the perfect introduction for graduate students beginning research in this area. It also provides very readable and useful reviews for theoretical chemists.* Written by well-known leading experts * Combines history, personal accounts, and theory to explain much of the field of theoretical and compuational chemistry* Is the perfect introduction to the field
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.
Fundamentals Of Bioinformatics And Computational Biology
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Author : Gautam B. Singh
language : en
Publisher: Springer
Release Date : 2014-09-24
Fundamentals Of Bioinformatics And Computational Biology written by Gautam B. Singh and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-09-24 with Technology & Engineering categories.
This book offers comprehensive coverage of all the core topics of bioinformatics, and includes practical examples completed using the MATLAB bioinformatics toolboxTM. It is primarily intended as a textbook for engineering and computer science students attending advanced undergraduate and graduate courses in bioinformatics and computational biology. The book develops bioinformatics concepts from the ground up, starting with an introductory chapter on molecular biology and genetics. This chapter will enable physical science students to fully understand and appreciate the ultimate goals of applying the principles of information technology to challenges in biological data management, sequence analysis, and systems biology. The first part of the book also includes a survey of existing biological databases, tools that have become essential in today’s biotechnology research. The second part of the book covers methodologies for retrieving biological information, including fundamental algorithms for sequence comparison, scoring, and determining evolutionary distance. The main focus of the third part is on modeling biological sequences and patterns as Markov chains. It presents key principles for analyzing and searching for sequences of significant motifs and biomarkers. The last part of the book, dedicated to systems biology, covers phylogenetic analysis and evolutionary tree computations, as well as gene expression analysis with microarrays. In brief, the book offers the ideal hands-on reference guide to the field of bioinformatics and computational biology.
Math And Bio 2010
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Author : Lynn Arthur Steen
language : en
Publisher: MAA
Release Date : 2005
Math And Bio 2010 written by Lynn Arthur Steen and has been published by MAA this book supported file pdf, txt, epub, kindle and other format this book has been release on 2005 with Mathematics categories.
"Math and bio 2010 grew out of 'Meeting the Challenges: Education across the Biological, Mathematical and Computer Sciences,' a joint project of the Mathematical Association of America (MAA), the National Science Foundation Division of Undergraduate Education (NSF DUE), the National Institute of General Medical Sciences (NIGMS), the American Association for the Advancement of Science (AAAS), and the American Society for Microbiology (ASM)."--Foreword, p. vi
Acta Numerica 2004 Volume 13
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Author : Arieh Iserles
language : en
Publisher: Cambridge University Press
Release Date : 2004-06-03
Acta Numerica 2004 Volume 13 written by Arieh Iserles 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 2004-06-03 with Juvenile Nonfiction categories.
An annual volume presenting substantive survey articles in numerical mathematics and scientific computing.
Mathematical Analysis And Applications
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Author : Themistocles M. Rassias
language : en
Publisher: Springer Nature
Release Date : 2019-12-12
Mathematical Analysis And Applications written by Themistocles M. Rassias and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-12-12 with Mathematics categories.
An international community of experts scientists comprise the research and survey contributions in this volume which covers a broad spectrum of areas in which analysis plays a central role. Contributions discuss theory and problems in real and complex analysis, functional analysis, approximation theory, operator theory, analytic inequalities, the Radon transform, nonlinear analysis, and various applications of interdisciplinary research; some are also devoted to specific applications such as the three-body problem, finite element analysis in fluid mechanics, algorithms for difference of monotone operators, a vibrational approach to a financial problem, and more. This volume is useful to graduate students and researchers working in mathematics, physics, engineering, and economics.