Machine Learning For Biomolecular Simulations
DOWNLOAD
Download Machine Learning For Biomolecular Simulations PDF/ePub or read online books in Mobi eBooks. Click Download or Read Online button to get Machine Learning For Biomolecular Simulations book now. This website allows unlimited access to, at the time of writing, more than 1.5 million titles, including hundreds of thousands of titles in various foreign languages. If the content not found or just blank you must refresh this page
Machine Learning In Biomolecular Simulations
DOWNLOAD
Author : Gennady Verkhivker
language : en
Publisher: Frontiers Media SA
Release Date : 2019-10-21
Machine Learning In Biomolecular Simulations written by Gennady Verkhivker 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 2019-10-21 with categories.
Machine learning methods such as neural networks, non-linear dimensionality reduction techniques, random forests and others meet in this research topic with biomolecular simulations. The authors of eight articles applied these methods to analyze simulation results, accelerate simulations or to make molecular mechanics force fields more accurate.
Biomolecular Simulations In Structure Based Drug Discovery
DOWNLOAD
Author : Francesco L. Gervasio
language : en
Publisher: John Wiley & Sons
Release Date : 2019-04-29
Biomolecular Simulations In Structure Based Drug Discovery written by Francesco L. Gervasio and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-04-29 with Medical categories.
A guide to applying the power of modern simulation tools to better drug design Biomolecular Simulations in Structure-based Drug Discovery offers an up-to-date and comprehensive review of modern simulation tools and their applications in real-life drug discovery, for better and quicker results in structure-based drug design. The authors describe common tools used in the biomolecular simulation of drugs and their targets and offer an analysis of the accuracy of the predictions. They also show how to integrate modeling with other experimental data. Filled with numerous case studies from different therapeutic fields, the book helps professionals to quickly adopt these new methods for their current projects. Experts from the pharmaceutical industry and academic institutions present real-life examples for important target classes such as GPCRs, ion channels and amyloids as well as for common challenges in structure-based drug discovery. Biomolecular Simulations in Structure-based Drug Discovery is an important resource that: -Contains a review of the current generation of biomolecular simulation tools that have the robustness and speed that allows them to be used as routine tools by non-specialists -Includes information on the novel methods and strategies for the modeling of drug-target interactions within the framework of real-life drug discovery and development -Offers numerous illustrative case studies from a wide-range of therapeutic fields -Presents an application-oriented reference that is ideal for those working in the various fields Written for medicinal chemists, professionals in the pharmaceutical industry, and pharmaceutical chemists, Biomolecular Simulations in Structure-based Drug Discovery is a comprehensive resource to modern simulation tools that complement and have the potential to complement or replace laboratory assays for better results in drug design.
Machine Learning For Biomolecular Simulations
DOWNLOAD
Author : Hendrik Jung
language : en
Publisher:
Release Date : 2024
Machine Learning For Biomolecular Simulations written by Hendrik Jung and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024 with categories.
Biomolecular Simulations Methods And Protocols
DOWNLOAD
Author : Mr. Rohit Manglik
language : en
Publisher: EduGorilla Publication
Release Date : 2024-07-18
Biomolecular Simulations Methods And Protocols written by Mr. Rohit Manglik and has been published by EduGorilla Publication this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-07-18 with Science categories.
EduGorilla Publication is a trusted name in the education sector, committed to empowering learners with high-quality study materials and resources. Specializing in competitive exams and academic support, EduGorilla provides comprehensive and well-structured content tailored to meet the needs of students across various streams and levels.
Biomanufacturing For Sustainable Production Of Biomolecules
DOWNLOAD
Author : Vijai Singh
language : en
Publisher: Springer Nature
Release Date : 2023-01-26
Biomanufacturing For Sustainable Production Of Biomolecules written by Vijai Singh and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-01-26 with Science categories.
This book elucidates the sustainable production of commercially important biomolecules in medicines, food, and beverage processing, through biological systems, including microorganisms, animal cells, plant cells, tissues, enzymes, and in vitro. It discusses promising technologies for the manipulation of cells including, genetic engineering, synthetic biology, genome editing, and metabolic engineering. The initial chapters of the book introduce topics on biomanufacturing, circular economy, strain design and improvement, upstream and downstream processing. The subsequent chapters cover artificial intelligence-assisted production, designer cell factories, biosensors for monitoring biomolecules, different cells factories, biosynthetic pathways, and genome editing approaches for scale-up biomanufacturing. Lastly, the book discusses the opportunities and challenges of implementing biological systems for the production of biomolecules. This book is a valuable source for students, researchers, scientists, clinicians, stakeholders, policymakers, and practitioners to understand biomanufacturing for the sustainable production of biomolecules.
Chemical Theory And Multiscale Simulation In Biomolecules
DOWNLOAD
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
Machine Learning Methodologies To Study Molecular Interactions
DOWNLOAD
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.
Machine Learning And Its Application To Reacting Flows
DOWNLOAD
Author : Nedunchezhian Swaminathan
language : en
Publisher: Springer Nature
Release Date : 2023-01-01
Machine Learning And Its Application To Reacting Flows written by Nedunchezhian Swaminathan and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-01-01 with Technology & Engineering categories.
This open access book introduces and explains machine learning (ML) algorithms and techniques developed for statistical inferences on a complex process or system and their applications to simulations of chemically reacting turbulent flows. These two fields, ML and turbulent combustion, have large body of work and knowledge on their own, and this book brings them together and explain the complexities and challenges involved in applying ML techniques to simulate and study reacting flows. This is important as to the world’s total primary energy supply (TPES), since more than 90% of this supply is through combustion technologies and the non-negligible effects of combustion on environment. Although alternative technologies based on renewable energies are coming up, their shares for the TPES is are less than 5% currently and one needs a complete paradigm shift to replace combustion sources. Whether this is practical or not is entirely a different question, and an answer to this question depends on the respondent. However, a pragmatic analysis suggests that the combustion share to TPES is likely to be more than 70% even by 2070. Hence, it will be prudent to take advantage of ML techniques to improve combustion sciences and technologies so that efficient and “greener” combustion systems that are friendlier to the environment can be designed. The book covers the current state of the art in these two topics and outlines the challenges involved, merits and drawbacks of using ML for turbulent combustion simulations including avenues which can be explored to overcome the challenges. The required mathematical equations and backgrounds are discussed with ample references for readers to find further detail if they wish. This book is unique since there is not any book with similar coverage of topics, ranging from big data analysis and machine learning algorithm to their applications for combustion science and system design for energy generation.
Computer Aided And Machine Learning Driven Drug Design
DOWNLOAD
Author : Vinícius Gonçalves Maltarollo
language : en
Publisher: Springer Nature
Release Date : 2025-02-27
Computer Aided And Machine Learning Driven Drug Design written by Vinícius Gonçalves Maltarollo and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-02-27 with Science categories.
The computer-aided drug design research field comprises several different knowledge areas, and often, researchers are only familiar or experienced with a small fraction of them. Indeed, pharmaceutical industries and large academic groups rely on a broad range of professionals, including chemists, biologists, pharmacists, and computer scientists. In this sense, it is difficult to be an expert in every single CADD approach. Furthermore, there are well-established methods that are constantly revisited, and novel approaches are introduced, such as machine-learning based scoring functions for molecular docking. This book provides an organized update of the most commonly employed CADD techniques, as well as successful examples of actual applications to develop bioactive compounds/drug candidates. Also includes is a section of case studies that cover certain pharmacological/target classes, focusing on the applications of the previously described methods. This part will especially appeal to professionals who are not as interested in the theoretical aspects of CADD. This is an ideal book for students, researchers, and industry professionals in the fields of pharmacy, chemistry, biology, bioinformatics, computer sciences, and medicine who are seeking a go-to reference on drug design and medicinal chemistry.
Introduction To Modern Biophysics
DOWNLOAD
Author : Mohammad Ashrafuzzaman
language : en
Publisher: CRC Press
Release Date : 2023-12-15
Introduction To Modern Biophysics written by Mohammad Ashrafuzzaman and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-12-15 with Science categories.
This textbook provides an introduction to the fundamental and applied aspects of biophysics for advanced undergraduate and graduate students of physics, chemistry, and biology. The application of physics principles and techniques in exploring biological systems has long been a tradition in scientific research. Biological systems hold naturally inbuilt physical principles and processes which are popularly explored. Systematic discoveries help us understand the structures and functions of individual biomolecules, biomolecular systems, cells, organelles, tissues, and even the physiological systems of animals and plants. Utilizing a physics- based scientific understanding of biological systems to explore disease is at the forefront of applied scientific research. This textbook covers key breakthroughs in biophysics whilst looking ahead to future horizons and directions of research. It contains models based on both classical and quantum mechanical treatments of biological systems. It explores diseases related to physical alterations in biomolecular structures and organizations alongside drug discovery strategies. It also discusses the cutting- edge applications of nanotechnologies in manipulating nanoprocesses in biological systems. Key Features: • Presents an accessible introduction to how physics principles and techniques can be used to understand biological and biochemical systems. • Addresses natural processes, mutations, and their purposeful manipulation. • Lays the groundwork for vitally important natural scientific, technological, and medical advances. Mohammad Ashrafuzzaman, a biophysicist and condensed matter scientist, is passionate about investigating biological and biochemical processes utilizing physics principles and techniques. He is a professor of biophysics at King Saud University’s Biochemistry Department in the College of Science, Riyadh, Saudi Arabia; the co- founder of MDT Canada Inc., and the founder of Child Life Development Institute, Edmonton, Canada. He has authored Biophysics and Nanotechnology of Ion Channels, Nanoscale Biophysics of the Cell, and Membrane Biophysics. He has also published about 50 peer- reviewed articles and several patents, edited two books, and has been serving on the editorial boards of Elsevier and Bentham Science journals. Dr. Ashrafuzzaman has held research and academic ranks at Bangladesh University of Engineering & Technology, University of Neuchatel (Switzerland), Helsinki University of Technology (Finland), Weill Medical College of Cornell University (USA), and University of Alberta (Canada). During 2013– 2018 he also served as a Visiting Professor at the Departments of Oncology, and Medical Microbiology and Immunology, of the University of Alberta. Dr. Ashrafuzzaman earned his highest academic degree, Doctor of Science (D.Sc.) in condensed matter physics from the University of Neuchatel, Switzerland in 2004.