Molecular Modeling For Students A Comprehensive Guide
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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!
A Comprehensive Guide To Toxicology In Nonclinical Drug Development
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Author : Ali S. Faqi
language : en
Publisher: Elsevier
Release Date : 2024-02-11
A Comprehensive Guide To Toxicology In Nonclinical Drug Development written by Ali S. Faqi and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-02-11 with Medical categories.
A Comprehensive Guide to Toxicology in Nonclinical Drug Development, Third Edition is a valuable reference providing a complete understanding of all aspects of nonclinical toxicology in pharmaceutical research. This updated edition has been expanded and re-developed covering a wide-range of toxicological issues in small molecules and biologics. Topics include ADME in drug discovery, pharmacokinetics, toxicokinetics, formulations, and genetic toxicology testing. The book has been thoroughly updated throughout to reflect the latest scientific advances and includes new information on antiviral drugs, anti-diabetic drugs, immunotherapy, and a discussion on post-pandemic drug development challenges and opportunities. This is an essential and practical resource for all toxicologists involved in nonclinical testing in industry, academic, and regulatory settings. - Provides updated, unique content not covered in one comprehensive resource, including chapters on stem cells, antiviral drugs, anti-diabetic drugs, and immunotherapy - Includes the latest international guidelines for nonclinical toxicology in both small and large molecules - Incorporates practical examples in order to illustrate day-to-day activities and expectations associated with working in nonclinical toxicology
Mbn Explorer
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Author : Fouad Sabry
language : en
Publisher: One Billion Knowledgeable
Release Date : 2025-04-05
Mbn Explorer written by Fouad Sabry and has been published by One Billion Knowledgeable this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-04-05 with Science categories.
Unlock the power of MBN Explorer and revolutionize your understanding of nanotechnology! This book is a vital resource for scientists, engineers, students, and enthusiasts eager to master advanced computational methods. Dive into the world of molecular modeling, simulations, and materials science, exploring cuttingedge techniques shaping the future of nanotechnology. Chapters Brief Overview: 1: MBN Explorer – Introduction to the MBN Explorer software and its role in molecular simulations. 2: MBN – Fundamentals of manybody nanostructures and their computational representation. 3: Molecular Modelling Toolkit – Essential tools for modeling and analyzing molecular interactions. 4: Kinetic Monte Carlo – Simulation techniques for stochastic processes in nanomaterials. 5: Multistate Modeling of Biomolecules – Computational approaches to protein and DNA conformations. 6: Nanomechanics – Insights into mechanical properties of nanostructures and computational methods. 7: Molecular Dynamics – Theoretical foundations and applications in nanoscale simulations. 8: MacroModel – Exploring force fields and molecular mechanics for accurate modeling. 9: Binary Collision Approximation – Simulation of particle interactions at the atomic level. 10: Materials Studio – Advanced tools for materials discovery and molecular design. 11: Computational Materials Science – The intersection of physics, chemistry, and materials engineering. 12: Modeling of Polymer Crystals – Computational techniques for designing polymerbased materials. 13: Multiscale Modeling – Bridging atomic to macroscopic scales in nanotechnology applications. 14: Comparison of Software for Molecular Mechanics Modeling – Evaluating leading computational tools. 15: Surface Growth – Simulating thin films and nanostructure formation for advanced materials. 16: Ascalaph Designer – Features of a specialized tool for molecular and nanomaterial simulations. 17: Integrated Computational Materials Engineering – Transforming material design through simulations. 18: Comparison of Nucleic Acid Simulation Software – Evaluating tools for DNA and RNA modeling. 19: Reverse Monte Carlo – A powerful method for structural modeling of disordered materials. 20: Computational Chemistry – How quantum and classical methods drive material innovation. 21: Molecular Mechanics – Fundamental principles for predicting molecular behavior in nanosystems. Whether you're a student, researcher, or industry professional, this book provides practical insights into stateoftheart modeling techniques. The knowledge gained will empower your work, making complex simulations accessible and impactful. Stay ahead in nanotechnology—let this book be your guide!
Medicinal Chemistry For B Pharma 2nd Year A Comprehensive Guide For Pharmacy Students
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Author : Rohini Ramchandra Tate
language : en
Publisher: Shashwat Publication
Release Date : 2024-04-24
Medicinal Chemistry For B Pharma 2nd Year A Comprehensive Guide For Pharmacy Students written by Rohini Ramchandra Tate and has been published by Shashwat Publication this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-04-24 with Medical categories.
"Medicinal Chemistry for B Pharma 2nd Year: A Comprehensive Guide for Pharmacy Students" is an invaluable resource tailored specifically for second-year pharmacy students pursuing a Bachelor of Pharmacy (B Pharma) degree. Authored with precision and expertise, this book serves as an essential companion in the journey of mastering the intricate field of medicinal chemistry. The content is carefully curated to align with the academic curriculum prescribed by Pharmacy Council of India.
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.
Biology
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Author :
language : en
Publisher:
Release Date : 1996
Biology written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1996 with Biological apparatus and supplies categories.
Artificial Intelligence And Machine Learning In Drug Design And Development
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Author : Abhirup Khanna
language : en
Publisher: John Wiley & Sons
Release Date : 2024-07-18
Artificial Intelligence And Machine Learning In Drug Design And Development written by Abhirup Khanna 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 2024-07-18 with Computers categories.
The book is a comprehensive guide that explores the use of artificial intelligence and machine learning in drug discovery and development covering a range of topics, including the use of molecular modeling, docking, identifying targets, selecting compounds, and optimizing drugs. The intersection of Artificial Intelligence (AI) and Machine Learning (ML) within the field of drug design and development represents a pivotal moment in the history of healthcare and pharmaceuticals. The remarkable synergy between cutting-edge technology and the life sciences has ushered in a new era of possibilities, offering unprecedented opportunities, formidable challenges, and a tantalizing glimpse into the future of medicine. AI can be applied to all the key areas of the pharmaceutical industry, such as drug discovery and development, drug repurposing, and improving productivity within a short period. Contemporary methods have shown promising results in facilitating the discovery of drugs to target different diseases. Moreover, AI helps in predicting the efficacy and safety of molecules and gives researchers a much broader chemical pallet for the selection of the best molecules for drug testing and delivery. In this context, drug repurposing is another important topic where AI can have a substantial impact. With the vast amount of clinical and pharmaceutical data available to date, AI algorithms find suitable drugs that can be repurposed for alternative use in medicine. This book is a comprehensive exploration of this dynamic and rapidly evolving field. In an era where precision and efficiency are paramount in drug discovery, AI and ML have emerged as transformative tools, reshaping the way we identify, design, and develop pharmaceuticals. This book is a testament to the profound impact these technologies have had and will continue to have on the pharmaceutical industry, healthcare, and ultimately, patient well-being. The editors of this volume have assembled a distinguished group of experts, researchers, and thought leaders from both the AI, ML, and pharmaceutical domains. Their collective knowledge and insights illuminate the multifaceted landscape of AI and ML in drug design and development, offering a roadmap for navigating its complexities and harnessing its potential. In each section, readers will find a rich tapestry of knowledge, case studies, and expert opinions, providing a 360-degree view of AI and ML’s role in drug design and development. Whether you are a researcher, scientist, industry professional, policymaker, or simply curious about the future of medicine, this book offers 19 state-of-the-art chapters providing valuable insights and a compass to navigate the exciting journey ahead. Audience The book is a valuable resource for a wide range of professionals in the pharmaceutical and allied industries including researchers, scientists, engineers, and laboratory workers in the field of drug discovery and development, who want to learn about the latest techniques in machine learning and AI, as well as information technology professionals who are interested in the application of machine learning and artificial intelligence in drug development.
A User S Guide To Ellipsometry
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Author : Harland G. Tompkins
language : en
Publisher: Courier Corporation
Release Date : 2006-07-07
A User S Guide To Ellipsometry written by Harland G. Tompkins and has been published by Courier Corporation this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006-07-07 with Technology & Engineering categories.
This text on optics for graduate students explains how to determine material properties and parameters for inaccessible substrates and unknown films as well as how to measure extremely thin films. Its 14 case studies illustrate concepts and reinforce applications of ellipsometry — particularly in relation to the semiconductor industry and to studies involving corrosion and oxide growth. A User's Guide to Ellipsometry will enable readers to move beyond limited turn-key applications of ellipsometers. In addition to its comprehensive discussions of the measurement of film thickness and optical constants in film, it also considers the trajectories of the ellipsometric parameters Del and Psi and how changes in materials affect parameters. This volume also addresses the use of polysilicon, a material commonly employed in the microelectronics industry, and the effects of substrate roughness. Three appendices provide helpful references.
Mastering Data Science A Comprehensive Guide To Techniques And Applications
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Author : Adam Jones
language : en
Publisher: Walzone Press
Release Date : 2025-01-05
Mastering Data Science A Comprehensive Guide To Techniques And Applications written by Adam Jones and has been published by Walzone Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-01-05 with Computers categories.
Embark on your data science journey with "Mastering Data Science: A Comprehensive Guide to Techniques and Applications," the ultimate resource for mastering the vast landscape of data science. Whether you're a novice eager to explore the field or an expert looking to refine and expand your skills, this book provides a thorough exploration of essential data science techniques and applications. Discover the foundational principles of data wrangling, preprocessing, statistical fundamentals, and essential mathematical techniques. Delve into the complexities of machine learning, deep learning, and natural language processing with clear explanations that connect theory to real-world practice. Each chapter is carefully designed to unravel complex concepts and features practical examples to enhance your understanding. Explore the intricacies of time series analysis, develop proficiency in crafting compelling data visualizations, and learn to effectively deploy machine learning models. With a focus on practical application, this guide not only imparts theoretical insights but also empowers you to address data science challenges confidently. Unlock the potential of data science to innovate, solve critical problems, and make informed decisions in today's data-centric world with "Mastering Data Science: A Comprehensive Guide to Techniques and Applications."
Text Book Of Computer Aided Drug Design
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Author : Valapa Anusha, Lalbihari Barik, Prashant Gupta, Dr Pichika Mallikarjuna Rao, Mak Kit-Kay
language : en
Publisher: Shashwat Publication
Release Date : 2025-05-30
Text Book Of Computer Aided Drug Design written by Valapa Anusha, Lalbihari Barik, Prashant Gupta, Dr Pichika Mallikarjuna Rao, Mak Kit-Kay and has been published by Shashwat Publication this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-05-30 with Fiction categories.
The Text Book of Computer Aided Drug Design is a comprehensive guide covering modern techniques used in computational drug discovery. It begins with an introduction to Computer Aided Drug Design (CADD), highlighting its history, fundamental principles, and wide-ranging applications. The book then delves into Quantitative Structure-Activity Relationships (QSAR), explaining basics, the evolution of QSAR methodologies, and the importance of physicochemical parameters like electronic, lipophilicity, and steric effects. Both experimental and theoretical approaches for parameter determination are detailed. Further, it elaborates on Hansch and Free Wilson analysis, deriving 2D-QSAR equations, and advanced 3D-QSAR approaches along with contour map interpretation. A dedicated section discusses the crucial role of molecular modeling and quantum mechanics in drug design. It contrasts global minimum energy conformations with bioactive conformations and thoroughly explains rigid, flexible, and extra-precision molecular docking techniques. The text also explores enzyme targets such as DHFR, HMG-CoA reductase, HIV protease, and cholinesterases, emphasizing the design of inhibitors. Another highlight is the prediction of ADMET properties essential for successful drug candidates. De novo drug design is explored with focus on receptor/enzyme interactions, cavity predictions, and fragment-based approaches. Techniques like homology modeling and generation of 3D protein structures are covered to support structure-based drug design. The final chapters are dedicated to pharmacophore mapping and virtual screening methods. Readers learn about pharmacophore identification, conformational search techniques, in silico drug design strategies, and both similarity-based and structure-based virtual screening approaches. Rich in theory and practical approaches, this book serves as an essential resource for pharmacy, medicinal chemistry, and computational biology students. It bridges fundamental concepts with advanced drug discovery techniques. It is ideal for both beginners seeking a strong foundation and researchers aiming for advanced applications. Comprehensive examples, models, and updated techniques make it highly relevant to current pharmaceutical research and industry needs.