A Handbook Of Molecular Docking

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Molecular Docking For Computer Aided Drug Design

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Author : Mohane S. Coumar
language : en
Publisher: Academic Press
Release Date : 2021-02-17

Molecular Docking For Computer Aided Drug Design written by Mohane S. Coumar and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-02-17 with Medical categories.

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

Molecular Docking

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Author : N B Singh
language : en
Publisher: Independently Published
Release Date : 2024-02-07

Molecular Docking written by N B Singh and has been published by Independently Published this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-02-07 with Science categories.

Molecular Docking: A Formula Handbook is a comprehensive guide designed for researchers, scientists, and students delving into the intricate world of molecular docking. This handbook meticulously explores the theoretical foundations, algorithmic intricacies, and practical applications of molecular docking techniques. From the fundamental principles governing ligand-receptor interactions to the latest advancements in the field, the book offers a systematic and formulaic approach to understanding and applying molecular docking methodologies. Enriched with mathematical and chemical formulas, real-world examples, and detailed explanations, the handbook serves as an invaluable resource for those engaged in drug discovery, computational biology, and structural bioinformatics. Whether you are a seasoned professional or a newcomer to the field, this handbook equips you with the essential knowledge and formulas to navigate the complex landscape of molecular docking with precision and confidence.

Guidebook On Molecular Modeling In Drug Design

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Author : N. Claude Cohen
language : en
Publisher: Gulf Professional Publishing
Release Date : 1996-04-26

Guidebook On Molecular Modeling In Drug Design written by N. Claude Cohen and has been published by Gulf Professional Publishing this book supported file pdf, txt, epub, kindle and other format this book has been release on 1996-04-26 with Computers categories.

The molecular modeling perspective in drug design. (N. Calude Cohen). Molecular graphics and modeling: tools of the trade. (Roderick E. Hubbard). Molecular modeling of small molecules. (Tamara Gund). Computer assisted new lead design. (Akiko Itai, Miho Yamada Mizutani, Yoshihiko Nishibata, and Nubuo Tomioka). Experimental techniques and data banks. (John P. Priestle and C. Gregory Paris). Computer-assisted drug discovery. (Peter Gund, Gerald Maggiora, and James P. Snyder). Modeling drug-receptor interactions. (Konrad F. Koehler, Shashidhar N. Rao, and James P. Snyder). Glossary of terminology. (J. P. Tollenaere).

A Handbook Of Molecular Docking

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Author : N.B. Singh
language : en
Publisher: N.B. Singh
Release Date :

A Handbook Of Molecular Docking 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.

A Handbook of Molecular Docking is an accessible and comprehensive guide designed for absolute beginners. This book introduces the fundamental concepts and practical techniques of molecular docking, providing a step-by-step approach to understanding and performing docking studies. With a focus on clear explanations and non-mathematical descriptions, it covers essential topics such as molecular representations, docking algorithms, and the application of modern computational tools. Through illustrative examples and practical exercises, readers will gain the skills and confidence needed to explore the dynamic field of molecular docking and its applications in drug discovery and bioinformatics.

Molecular Modeling And Simulation

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Author : Tamar Schlick
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-04-18

Molecular Modeling And Simulation written by Tamar Schlick and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-04-18 with Science categories.

Science is a way of looking, reverencing. And the purpose of all science, like living, which amounts to the same thing, is not the ac cumulation of gnostic power, the fixing of formulas for the name of God, the stockpiling of brutal efficiency, accomplishing the sadistic myth of progress. The purpose of science is to revive and cultivate a perpetual state of wonder. For nothing deserves wonder so much as our capacity to experience it. Roald Hoffman and Shira Leibowitz Schmidt, in Old Wine, New Flasks: Re. flections on Science and Jewish Tradition (W. H. Freeman, 1997). Challenges in Teaching Molecular Modeling This textbook evolved from a graduate course termed Molecular Modeling intro duced in the fall of 1996 at New York University. The primary goal of the course is to stimulate excitement for molecular modeling research - much in the spirit of Hoffman and Leibowitz Schmidt above - while providing grounding in the discipline. Such knowledge is valuable for research dealing with many practical problems in both the acadernic and industrial sectors, from developing treatments for AIDS (via inhibitors to the protease enzyme of the human imrnunodeficiency virus, HIV-1) to designing potatoes that yie1d spot-free potato chips (via trans genic potatoes with altered carbohydrate metabolism). In the course of writing xii Preface this text, the notes have expanded to function also as an introduction to the field for scientists in other disciplines by providing a global perspective into problems and approaches, rather than a comprehensive survey.

Methods And Algorithms For Molecular Docking Based Drug Design And Discovery

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Author : Siavoush Dastmalchi
language : en
Publisher: Medical Information Science Reference
Release Date : 2016

Methods And Algorithms For Molecular Docking Based Drug Design And Discovery written by Siavoush Dastmalchi and has been published by Medical Information Science Reference this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016 with Algorithms categories.

Investigates the evolution of pharmaceutical design and computational approaches in the field of molecular docking. Highlighting theoretical backgrounds and emergent research in the area of computer-assisted drug design, this publication is a pivotal source for professionals, researchers, medical chemists, pharmaceutical experts, and students.

Computational Drug Discovery And Design

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Author :
language : en
Publisher:
Release Date : 2023

Computational Drug Discovery And Design written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023 with Drugs categories.

This second edition provides new and updated methods and techniques for identification of drug target, binding sites prediction, high- throughput virtual screening, lead discovery and optimization, conformational sampling, prediction of pharmacokinetic properties using computer-based methodologies. Chapters also focus on the application of the latest artificial intelligence technologies for computer aided drug discovery. Written in the format of the highly successful Methods in Molecular Biology series, each chapter includes an introduction to the topic, lists necessary methods, includes tips on troubleshooting and known pitfalls, and step-by-step, readily reproducible protocols.

Molecular Modeling And Simulation An Interdisciplinary Guide

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Author : Tamar Schlick
language : en
Publisher: Springer Science & Business Media
Release Date : 2010-08-03

Molecular Modeling And Simulation An Interdisciplinary Guide written by Tamar Schlick and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-08-03 with Mathematics categories.

Very broad overview of the field intended for an interdisciplinary audience; Lively discussion of current challenges written in a colloquial style; Author is a rising star in this discipline; Suitably accessible for beginners and suitably rigorous for experts; Features extensive four-color illustrations; Appendices featuring homework assignments and reading lists complement the material in the main text

Molecular Modeling For Students A Comprehensive Guide

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Author : Pasquale De Marco
language : en
Publisher: Pasquale De Marco
Release Date : 2025-04-26

Molecular Modeling For Students A Comprehensive Guide written by Pasquale De Marco and has been published by Pasquale De Marco this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-04-26 with Science categories.

Molecular modeling is a powerful tool that allows scientists to study the behavior of molecules at the atomic level. It is used in a wide variety of fields, including drug discovery, materials science, and biology. This book provides a comprehensive introduction to molecular modeling, covering all the essential concepts and techniques. It is written in a clear and concise style, with plenty of examples and illustrations to help readers understand the material. The book begins with an overview of the different types of molecular modeling methods, including molecular dynamics simulations, Monte Carlo simulations, and quantum mechanics calculations. It then goes on to discuss how to build and prepare molecular structures for simulations, how to run simulations, and how to analyze the results. The book also covers a wide range of applications of molecular modeling, including drug discovery, materials science, and biology. It shows how molecular modeling can be used to study the structure and function of proteins, design new drugs, and develop new materials. This book is an essential resource for anyone who wants to learn more about molecular modeling. It is suitable for students, researchers, and professionals in a wide range of fields. In this book, you will learn: * The basics of molecular modeling * How to build and prepare molecular structures for simulations * How to run molecular dynamics and Monte Carlo simulations * How to calculate free energies * How to use molecular modeling to study a wide range of problems in science and engineering By the end of this book, you will have a solid understanding of the principles of molecular modeling and how it can be used to study a wide range of problems in science and engineering. If you like this book, write a review on google books!

Handbook Of Neurochemistry And Molecular Neurobiology

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Author : Glen Baker
language : en
Publisher: Springer Science & Business Media
Release Date : 2007-03-26

Handbook Of Neurochemistry And Molecular Neurobiology written by Glen Baker and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-03-26 with Medical categories.

The Handbook is intended to be a service to the neuroscience community, to help in finding available and useful information, to point out gaps in our knowledge, and to encourage continued studies. It represents the valuable contributions of the many authors of the chapters and the guidance of the editors and most important, it represents support for research in this discipline. Based on the rapid advances in the years since the second edition