Molecular Docking: Quantum Computing Methods


Book Description

"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.




DNA Computing: Quantum Computing Methods


Book Description

"DNA Computing: Quantum Computing Methods" explores the convergence of quantum computing with DNA-based technologies, unveiling how quantum principles amplify the computational capabilities inherent in DNA. This comprehensive work navigates through the transformative potential across healthcare, finance, and beyond, addressing challenges, innovations, and ethical considerations. From advancements in hardware and algorithms to biotechnological integration, this book forecasts a future where quantum DNA computing drives unprecedented scientific and societal advancements."




Graph Theory: Adiabatic Quantum Computing Methods


Book Description

"Graph Theory: Adiabatic Quantum Computing Methods" explores the convergence of quantum computing and graph theory, offering a comprehensive examination of how quantum algorithms can tackle fundamental graph problems. From foundational concepts to advanced applications in fields like cryptography, machine learning, and network analysis, this book provides a clear pathway into the evolving landscape of quantum-enhanced graph algorithms. Designed for researchers, students, and professionals alike, it bridges theoretical insights with practical implementations, paving the way for innovative solutions in computational graph theory.




Biochemistry: Quantum Computing Methods


Book Description

"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.




A New Age of Reason


Book Description

Leverage technology to propel humankind toward a better future A New Age of Reason: Harnessing the Power of Tech for Good provides a roadmap for integrating emerging world-changing technologies, such as AI/robotics, chips/sensors, and quantum computing, to solve some of today’s thorniest and most pressing problems like climate change and world hunger. The author offers inspiring examples of companies using technology to positively impact humanity. The book provides an actionable playbook to transform your organization around this mission, including how to develop a tech for good strategy, how to evolve the C Suite to deliver on this mission, how to market it, as well as measure outcomes. The author also discusses the latest technology breakthroughs delivering positive world outcomes, such as: Extending a surgeon’s “eyes and hands” via robotics surgical systems to improve patient outcomes Computer vision tech that enables farmers to maximize crops to feed our burgeoning population AI/robotics that identify and fight wildfires Bringing together a collective of major thinkers on this subject and providing guidance for a better future, A New Age of Reason: Harnessing the Power of Tech for Good is a timely read for all executive leaders seeking to harness the new wave of technology to solve key societal problems and have a positive impact on the world.




Drug Delivery Systems using Quantum Computing


Book Description

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.




ICT for Intelligent Systems


Book Description




AI-Powered Advances in Pharmacology


Book Description

In the field of pharmaceutical sciences, the integration of artificial intelligence (AI) has emerged as a groundbreaking force, propelling the field into uncharted territories of discovery and innovation. As traditional approaches in drug discovery and development encounter new challenges, the need for cutting-edge technologies becomes increasingly apparent. AI-Powered Advances in Pharmacology offers an insightful exploration of this critical intersection between AI and pharmacological research. This book delves into how AI technologies are reshaping the understanding of diseases, predicting drug responses, and optimizing therapeutic interventions. It navigates through the relationship between AI algorithms, big data analytics, and traditional pharmacological methodologies, promising to accelerate drug development and usher in a new era of precision medicine. The primary objective of AI-Powered Advances in Pharmacology is to conduct a thorough exploration of the integration of artificial intelligence (AI) into pharmacological research, shedding light on its transformative impact on drug discovery, development, and personalized medicine. This comprehensive overview aims to serve as a valuable resource for researchers, practitioners, and students in the field, bridging the gap between traditional pharmacological approaches and AI methodologies. Through case studies and discussions of emerging trends, the book contributes to the evolving landscape of pharmacology, fostering a deeper understanding of diseases, optimizing therapeutic interventions, and shaping the future of precision medicine. By providing practical insights, it aims to inspire further advancements at the intersection of artificial intelligence and pharmacology.




Quantum Mechanics in Drug Discovery


Book Description

This volume looks at applications of quantum mechanical (QM) methods in drug discovery. The chapters in this book describe how QM approaches can be applied to address key drug discovery issues, such as characterizing protein-water-ligand and protein-protein interactions, providing estimates of binding affinities, determining ligand energies and bioactive conformations, refinement of molecular geometries, scoring docked protein–ligand poses, describing molecular similarity, structure–activity-relationship (SAR) analysis, and ADMET prediction. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary software and tools, step-by-step, readily reproducible modeling protocols, and tips on troubleshooting and avoiding known pitfalls. Cutting-edge and unique, Quantum Mechanics in Drug Discovery is a valuable resource for structural and molecular biologists, computational and medicinal chemists, pharmacologists, and drug designers.




Molecular Docking for Computer-Aided Drug Design


Book Description

Molecular Docking for Computer-Aided Drug Design: Fundamentals, Techniques, Resources and Applications offers in-depth coverage on the use of molecular docking for drug design. The book is divided into three main sections that cover basic techniques, tools, web servers and applications. It is an essential reference for students and researchers involved in drug design and discovery. - Covers the latest information and state-of-the-art trends in structure-based drug design methodologies - Includes case studies that complement learning - Consolidates fundamental concepts and current practice of molecular docking into one convenient resource