Molecular Docking Quantum Computing Methods
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Molecular Docking Quantum Computing Methods
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Author : N.B. Singh
language : en
Publisher: N.B. Singh
Release Date :
Molecular Docking Quantum Computing Methods written by N.B. Singh and has been published by N.B. Singh this book supported file pdf, txt, epub, kindle and other format this book has been release on with Science categories.
"Molecular Docking: Quantum Computing Methods" delves into the intersection of quantum computing and molecular sciences, presenting an in-depth exploration of how quantum algorithms and hardware can revolutionize molecular docking simulations. From foundational principles to advanced case studies, this book navigates the potential of quantum computing to expedite drug discovery, enhance materials science, and unlock new frontiers in computational chemistry. It serves as a comprehensive guide for researchers, students, and professionals looking to harness quantum technologies for transformative advancements in molecular modeling and simulation.
Biochemistry Quantum Computing Methods
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Author : N.B. Singh
language : en
Publisher: N.B. Singh
Release Date :
Biochemistry Quantum Computing Methods written by N.B. Singh and has been published by N.B. Singh this book supported file pdf, txt, epub, kindle and other format this book has been release on with Science categories.
"Biochemistry: Quantum Computing Methods" explores how quantum computing can revolutionize biochemistry, from molecular simulations to drug discovery. This book introduces quantum concepts and their practical applications, offering insights into the future of biotechnological innovation at the intersection of quantum technology and life sciences.
Drug Delivery Systems Using Quantum Computing
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Author : Rishabha Malviya
language : en
Publisher: John Wiley & Sons
Release Date : 2024-07-02
Drug Delivery Systems Using Quantum Computing written by Rishabha Malviya 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 2024-07-02 with Science categories.
The first book of its kind to show the potential of quantum computing in drug delivery. Drug delivery systems (DDS) are defined as methods by which drugs are delivered to desired tissues, organs, cells, and subcellular organs for drug release and absorption through a variety of drug carriers. By controlling the precise level and/or location of a given drug in the body, side effects are reduced, doses are lowered, and new therapies are possible. Nevertheless, there are still significant obstacles to delivering certain medications to particular cells. Drug delivery methods change pharmacokinetic, pharmacodynamic, and drug release patterns to enhance product efficacy and safety, as well as patient convenience and compliance. Computational approaches in drug development enable quick screening of a vast chemical library and identification of possible binders by using modeling, simulation, and visualization tools. Quantum computing (QC) is a fundamentally new computing paradigm based on quantum mechanics rules that enables certain computations to be conducted significantly more rapidly and effectively than regular computing, and hence this has huge promise for the pharmaceutical sector. Significant advances in computational simulation are making it easier to comprehend the process of drug delivery. This book explores an important biophysical component of DDSs, and how computer modeling may help with the logical design of DDSs with enhanced and optimized characteristics. The book concentrates on computational research for various important types of nanocarriers, including dendrimers and dendrons, polymers, peptides, nucleic acids, lipids, carbon-based DDSs, and gold nanoparticles. Audience Researchers and industry scientists working in clinical research and disease management; pharmacists, formulation and pharmaceutical scientists working in R&D; computer science engineers applying deep learning and quantum computing in healthcare.
Molecular Modeling And Docking Techniques For Drug Discovery And Design
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Author : Bhat, Ajmal Rashid
language : en
Publisher: IGI Global
Release Date : 2025-02-05
Molecular Modeling And Docking Techniques For Drug Discovery And Design written by Bhat, Ajmal Rashid and has been published by IGI Global this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-02-05 with Medical categories.
In the realm of pharmaceutical research, the challenge of efficiently discovering and designing new drugs to combat diseases is ever-present. Traditional approaches to drug discovery often rely on time-consuming and costly experimental methods, leading to lengthy development timelines and high failure rates. This problem is exacerbated by the complexity of molecular interactions and the vast chemical space to explore. As a result, there is a pressing need for innovative solutions that can streamline the drug discovery process and improve its success rate. Molecular Modeling and Docking Techniques for Drug Discovery and Design addresses this critical challenge by offering a comprehensive guide to advanced computational methods in pharmaceutical research. Edited by leading experts in the field, the book provides insights into molecular modeling, docking, and other computational approaches that can significantly accelerate the drug discovery process. By leveraging computational tools and software, researchers can simulate molecular interactions, predict drug efficacy, and optimize chemical structures with greater speed and accuracy than traditional experimental methods.
Computational Methods For Rational Drug Design
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Author : Mithun Rudrapal
language : en
Publisher: John Wiley & Sons
Release Date : 2024-12-06
Computational Methods For Rational Drug Design written by Mithun Rudrapal 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 2024-12-06 with Science categories.
Comprehensive resource covering computational tools and techniques for the development of cost-effective drugs to combat diseases, with specific disease examples Computational Methods for Rational Drug Design covers the tools and techniques of drug design with applications to the discovery of small molecule-based therapeutics, detailing methodologies and practical applications and addressing the challenges of techniques like AI/ML and drug design for unknown receptor structures. Divided into 23 chapters, the contributors address various cutting-edge areas of therapeutic importance such as neurodegenerative disorders, cancer, multi-drug resistant bacterial infections, inflammatory diseases, and viral infections. Edited by a highly qualified academic with significant research contributions to the field, Computational Methods for Rational Drug Design explores topics including: Computer-assisted methods and tools for structure- and ligand-based drug design, virtual screening and lead discovery, and ADMET and physicochemical assessments In silico and pharmacophore modeling, fragment-based design, de novo drug design and scaffold hopping, network-based methods and drug discovery Rational design of natural products, peptides, enzyme inhibitors, drugs for neurodegenerative disorders, anti-inflammatory therapeutics, antibacterials for multi-drug resistant infections, and antiviral and anticancer therapeutics Protac and protide strategies in drug design, intrinsically disordered proteins (IDPs) in drug discovery and lung cancer treatment through ALK receptor-targeted drug metabolism and pharmacokinetics Helping readers seamlessly navigate the challenges of drug design, Computational Methods for Rational Drug Design is an essential reference for pharmaceutical and medicinal chemists, biochemists, pharmacologists, and phytochemists, along with molecular modeling and computational drug discovery professionals.
Multidisciplinary Research In Arts Science Commerce Volume 15
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Author : Chief Editor- Biplab Auddya, Editor- Dr. Bijikumary P, Dr. Pravin Vivek Kaslikar, Prof. Rohit Kulkarni, Mr. Enock I, Dr. J.Sathish Kumar, Dr. Balaji Shivraj Hokarne
language : en
Publisher: The Hill Publication
Release Date : 2024-12-19
Multidisciplinary Research In Arts Science Commerce Volume 15 written by Chief Editor- Biplab Auddya, Editor- Dr. Bijikumary P, Dr. Pravin Vivek Kaslikar, Prof. Rohit Kulkarni, Mr. Enock I, Dr. J.Sathish Kumar, Dr. Balaji Shivraj Hokarne and has been published by The Hill Publication this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-12-19 with Antiques & Collectibles categories.
Theoretical Aspects Of Chemical Reactivity
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Author :
language : en
Publisher: Elsevier
Release Date : 2006-11-14
Theoretical Aspects Of Chemical Reactivity 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 2006-11-14 with Technology & Engineering categories.
Theoretical Aspects of Chemical Reactivity provides a broad overview of recent theoretical and computational advancements in the field of chemical reactivity. Contributions have been made by a number of leaders in the field covering theoretical developments to applications in molecular systems and clusters. With an increase in the use of reactivity descriptors, and fundamental theoretical aspects becoming more challenging, this volume serves as an interesting overview where traditional concepts are revisited and explored from new viewpoints, and new varieties of reactivity descriptors are proposed. Includes applications in the frontiers of reactivity principles, and introduces dynamic and statistical viewpoints to chemical reactivity and challenging traditional concepts such as aromaticity. * Written by specialists in the field of chemical reactivity* An authoritative overview of the research and progress * An essential reference material for students
Immunoinformatics In The Age Of Ai Machine Learning Methods For Immune System Modeling
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Author : Dr. Calvin Ronchen Wei
language : en
Publisher: Xoffencer International Book Publication house
Release Date : 2024-11-28
Immunoinformatics In The Age Of Ai Machine Learning Methods For Immune System Modeling written by Dr. Calvin Ronchen Wei and has been published by Xoffencer International Book Publication house this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-11-28 with Computers categories.
Immunoinformatics, an interdisciplinary field at the nexus of immunology, bioinformatics, and computational science, has been profoundly transformed by the advent of artificial intelligence (AI) and machine learning (ML) technologies. As the immune system is an intricate and dynamic network responsible for protecting organisms from pathogens, its study presents vast complexities requiring sophisticated computational tools. The integration of ML has enabled significant strides in understanding immune responses, predicting immune epitopes, designing vaccines, and modeling interactions between pathogens and the host immune system. ML algorithms, particularly those utilizing deep learning frameworks, have shown remarkable capabilities in analyzing vast genomic, proteomic, and transcriptomic datasets, revealing patterns and insights that were previously beyond human reach. These advancements are particularly crucial in the current era, where rapid responses to emerging diseases and pandemics necessitate unprecedented speed and precision in immune system research. AI-powered tools have revolutionized vaccine development by predicting antigenic determinants with high accuracy, thereby reducing reliance on traditional trial-and-error methods. This approach has accelerated the development of mRNA vaccines, which played a critical role during the COVID-19 pandemic. Furthermore, ML techniques like support vector machines, neural networks, and ensemble learning have been employed to simulate immune system dynamics, enabling researchers to forecast immune responses to various interventions. These models are instrumental in identifying biomarkers for autoimmune diseases, allergies, and cancer immunotherapy, paving the way for personalized medicine. Moreover, the incorporation of natural language processing in immunoinformatics has facilitated the curation and synthesis of vast biomedical literature, providing researchers with actionable insights into immune-related mechanisms and therapies. However, the application of ML in immunoinformatics is not without challenges. Issues such as data heterogeneity, interpretability of ML models, and the need for high-quality annotated datasets remain significant barriers. Ethical considerations, including data privacy and the equitable distribution of AI-enabled solutions, are also critical concerns. Addressing these challenges requires collaborative efforts between immunologists, data scientists, and ethicists, ensuring that advancements in AI are harnessed responsibly and inclusively
Drug Discovery And Development
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Author : Vishwanath Gaitonde
language : en
Publisher: BoD – Books on Demand
Release Date : 2020-03-11
Drug Discovery And Development written by Vishwanath Gaitonde and has been published by BoD – Books on Demand this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-03-11 with Medical categories.
The process of drug discovery and development is a complex multistage logistics project spanned over 10-15 years with an average budget exceeding 1 billion USD. Starting with target identification and synthesizing anywhere between 10k to 15k synthetic compounds to potentially obtain the final drug that reaches the market involves a complicated maze with multiple inter- and intra-operative fields. Topics described in this book emphasize the progresses in computational applications, pharmacokinetics advances, and molecular modeling developments. In addition the book also contains special topics describing target deorphaning in Mycobacterium tuberculosis, therapy treatment of some rare diseases, and developments in the pediatric drug discovery process.
In Silico Methods For Drug Design And Discovery
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Author : Simone Brogi
language : en
Publisher: Frontiers Media SA
Release Date : 2020-10-09
In Silico Methods For Drug Design And Discovery written by Simone Brogi 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 2020-10-09 with Science categories.
This eBook is a collection of articles from a Frontiers Research Topic. Frontiers Research Topics are very popular trademarks of the Frontiers Journals Series: they are collections of at least ten articles, all centered on a particular subject. With their unique mix of varied contributions from Original Research to Review Articles, Frontiers Research Topics unify the most influential researchers, the latest key findings and historical advances in a hot research area! Find out more on how to host your own Frontiers Research Topic or contribute to one as an author by contacting the Frontiers Editorial Office: frontiersin.org/about/contact.