Quantum Chemistry Simulation Of Biological Molecules

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Quantum Chemistry Simulation Of Biological Molecules

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Author : Eudenilson L. Albuquerque
language : en
Publisher: Cambridge University Press
Release Date : 2021-02-11

Quantum Chemistry Simulation Of Biological Molecules written by Eudenilson L. Albuquerque 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 2021-02-11 with Science categories.

This book covers quantum chemical simulation of molecular systems and their quantum chemical properties, alongside the most cutting-edge biomedical applications.

Quantum Effects In Biology

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Author : Masoud Mohseni
language : en
Publisher: Cambridge University Press
Release Date : 2014-08-07

Quantum Effects In Biology written by Masoud Mohseni 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 2014-08-07 with Science categories.

Explores the role of quantum mechanics in biology for advanced undergraduate and graduate students in physics, biology and chemistry.

Approaches Of Computational Biophysics And Chemistry In Molecular Biology

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Author : Emil Alexov
language : en
Publisher: World Scientific
Release Date : 2025-01-17

Approaches Of Computational Biophysics And Chemistry In Molecular Biology written by Emil Alexov and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-01-17 with Science categories.

This book covers a broad range of computational biophysics and chemistry methods and their applications to study various phenomena in molecular biology. Highlighting recent advances, it emphasizes enhanced modeling accuracy, longer timescales, and the ability to simulate large biological macromolecules. From molecular dynamics simulations to quantum mechanical methods, the book discusses innovations like polarizable force fields and the integration of machine learning (ML) and artificial intelligence (AI) for improved predictive accuracy. It examines how these techniques predict the pKa of ionizable groups in biological macromolecules such as proteins, DNAs, and RNAs. It is demonstrated that the abovementioned computational techniques can be used to infer the pathogenicity of DNA variants and to reveal the molecular mechanism of diseases.By providing extensive coverage of various methods and diverse applications, this book is a valuable resource that links computational approaches to understanding molecular effects in human diseases, ultimately advancing the field of personalized medicine.

Computational Chemistry Reviews Of Current Trends Vol 9

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Author : Jerzy Leszczynski
language : en
Publisher: World Scientific
Release Date : 2005-05-30

Computational Chemistry Reviews Of Current Trends Vol 9 written by Jerzy Leszczynski and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2005-05-30 with Science categories.

Vast progress in the area of computational chemistry has been achieved in the last decade. Theoretical methods such as quantum mechanics, molecular dynamics and statistical mechanics have been successfully used to characterize chemical systems and to design new materials, drugs and chemicals. The reviews presented in this volume discuss the current advances in computational methodologies and their applications. The areas covered include materials science, nanotechnology, inorganic and biological systems. The major thrust of the book is to bring timely overviews of new findings and methods applied in the rapidly changing field of computational chemistry.

Quantum Modeling Of Complex Molecular Systems

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Author : Jean-Louis Rivail
language : en
Publisher: Springer
Release Date : 2015-10-13

Quantum Modeling Of Complex Molecular Systems written by Jean-Louis Rivail and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-10-13 with Science categories.

This multi-author contributed volume includes methodological advances and original applications to actual chemical or biochemical phenomena which were not possible before the increased sophistication of modern computers. The chapters contain detailed reviews of the developments of various computational techniques, used to study complex molecular systems such as molecular liquids and solutions (particularly aqueous solutions), liquid-gas, solid-gas interphase and biomacromolecular systems. Quantum modeling of complex molecular systems is a useful resource for graduate students and fledgling researchers and is also an excellent companion for research professionals engaged in computational chemistry, material science, nanotechnology, physics, drug design, and molecular biochemistry.

Chemistry Basics Understanding Elements And Compounds

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Author : Cybellium
language : en
Publisher: Cybellium Ltd
Release Date : 2024-10-26

Chemistry Basics Understanding Elements And Compounds written by Cybellium and has been published by Cybellium Ltd this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-10-26 with Science categories.

Designed for professionals, students, and enthusiasts alike, our comprehensive books empower you to stay ahead in a rapidly evolving digital world. * Expert Insights: Our books provide deep, actionable insights that bridge the gap between theory and practical application. * Up-to-Date Content: Stay current with the latest advancements, trends, and best practices in IT, Al, Cybersecurity, Business, Economics and Science. Each guide is regularly updated to reflect the newest developments and challenges. * Comprehensive Coverage: Whether you're a beginner or an advanced learner, Cybellium books cover a wide range of topics, from foundational principles to specialized knowledge, tailored to your level of expertise. Become part of a global network of learners and professionals who trust Cybellium to guide their educational journey. www.cybellium.com

Electronic Effects In Organic Chemistry

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Author : Barbara Kirchner
language : en
Publisher: Springer
Release Date : 2014-10-27

Electronic Effects In Organic Chemistry written by Barbara Kirchner and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-10-27 with Science categories.

The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field. Review articles for the individual volumes are invited by the volume editors. Readership: research chemists at universities or in industry, graduate students

Encyclopedia Of Bioinformatics And Computational Biology

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Author :
language : en
Publisher: Elsevier
Release Date : 2018-08-21

Encyclopedia Of Bioinformatics And Computational Biology written by and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-08-21 with Medical categories.

Encyclopedia of Bioinformatics and Computational Biology: ABC of Bioinformatics, Three Volume Set combines elements of computer science, information technology, mathematics, statistics and biotechnology, providing the methodology and in silico solutions to mine biological data and processes. The book covers Theory, Topics and Applications, with a special focus on Integrative –omics and Systems Biology. The theoretical, methodological underpinnings of BCB, including phylogeny are covered, as are more current areas of focus, such as translational bioinformatics, cheminformatics, and environmental informatics. Finally, Applications provide guidance for commonly asked questions. This major reference work spans basic and cutting-edge methodologies authored by leaders in the field, providing an invaluable resource for students, scientists, professionals in research institutes, and a broad swath of researchers in biotechnology and the biomedical and pharmaceutical industries. Brings together information from computer science, information technology, mathematics, statistics and biotechnology Written and reviewed by leading experts in the field, providing a unique and authoritative resource Focuses on the main theoretical and methodological concepts before expanding on specific topics and applications Includes interactive images, multimedia tools and crosslinking to further resources and databases

Computational Drug Discovery

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Author : Pooja A. Chawla
language : en
Publisher: Walter de Gruyter GmbH & Co KG
Release Date : 2024-10-07

Computational Drug Discovery written by Pooja A. Chawla 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 2024-10-07 with Science categories.

Computational methods and understanding computational models are important in modern drug discovery. The book focuses on computational approaches that can improve the development of in silico methodologies. It includes lead hit methods, docking algorithms, computational chiral compounds, structure-based drug design, GROMACS and NAMD, structural genomics, toxicity prediction, enzyme inhibitors and peptidomimetic therapeutics

The Universe In A Box

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Author : Andrew Pontzen
language : en
Publisher: Random House
Release Date : 2023-06-15

The Universe In A Box written by Andrew Pontzen and has been published by Random House this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-06-15 with Science categories.

**AS SEEN ON BBC BREAKFAST** Will we ever truly understand our cosmic home? This is the story of the technologies that allow us to look up, to learn and to discover our place in the cosmos. 'An electrifying new history of the universe' HANNAH FRY, author of Rutherford and Fry's Complete Guide to Absolutely Everything We are part of an incredible chain of events stretching 13.8 billion years into the past and even further into the future. But what does that future hold? And how do scientists study the entire universe? The Universe in a Box is Andrew Pontzen's tribute to simulations - the remarkable computer codes that, over the last century, have allowed us to grasp the distant past and far future of the universe. It reveals the stories of pioneering scientists who unlocked the mysteries of the cosmos, and reframes our understanding of galaxies, black holes and space itself. 'I was enlightened, amazed, and profoundly impressed' SIR PHILIP PULLMAN, author of His Dark Materials 'Compelling...a veritable treasure chest filled with captivating stories' SCIENCE