Molecular Docking Quantum Computing Methods


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Molecular Docking: Quantum Computing Methods


Molecular Docking: Quantum Computing Methods

Author: N.B. Singh

language: en

Publisher: N.B. Singh

Release Date:


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"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


Biochemistry: Quantum Computing Methods

Author: N.B. Singh

language: en

Publisher: N.B. Singh

Release Date:


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"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


Drug Delivery Systems using Quantum Computing

Author: Rishabha Malviya

language: en

Publisher: John Wiley & Sons

Release Date: 2024-07-02


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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.