In Silico Modelling Of Membranes And Drug Membrane Interactions

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In-Silico Approaches to Macromolecular Chemistry

Author : Minu Elizabeth Thomas
Publisher : Elsevier
ISBN 13 : 0323909965
Total Pages : 628 pages
Book Rating : 4.3/5 (239 download)

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Book Synopsis In-Silico Approaches to Macromolecular Chemistry by : Minu Elizabeth Thomas

Download or read book In-Silico Approaches to Macromolecular Chemistry written by Minu Elizabeth Thomas and published by Elsevier. This book was released on 2023-02-28 with total page 628 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational approaches offer researchers unique insights into the structure, characteristics, and properties of macromolecules. However, with applications across a broad range of areas, various methods have been developed for exploring macromolecules in in silico; therefore, it can be difficult for researchers to select the most appropriate method for their specific needs. Covering both biopolymers and synthetic polymers, In-Silico Approaches to Macromolecular Chemistry familiarizes readers with the theoretical tools and software appropriate for such studies. In addition to providing essential background knowledge on both computational tools and macromolecules, the book presents in-depth studies of in silico macromolecule chemistry, discusses and compares these with experimental studies, and highlights the future potential for such approaches. Written by specialists in their respective fields, this book helps students, researchers, and industry professionals gain a clear overview of the field, and furnishes them with the knowledge needed to understand and select the most appropriate tools for conducting and analyzing computational studies. - Highlights in silico studies of both bio and synthetic macromolecules in one book - Supports both learners and experts though a combination of detailed guidance and perspectives on the future potential for in silico approaches to macromolecules - Familiarizes readers with theoretical tools and software helping them select the best approach for their specific needs

Molecular Dynamics Simulation

Author : J. M. Haile
Publisher : Wiley-Interscience
ISBN 13 : 9780471184393
Total Pages : 0 pages
Book Rating : 4.1/5 (843 download)

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Book Synopsis Molecular Dynamics Simulation by : J. M. Haile

Download or read book Molecular Dynamics Simulation written by J. M. Haile and published by Wiley-Interscience. This book was released on 1997-03-14 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Provides a lot of reading pleasure and many new insights." -Journal of Molecular Structure "This is the most entertaining, stimulating and useful book which can be thoroughly recommended to anyone with an interest in computer simulation." -Contemporary Physics "A very useful introduction . . . more interesting to read than the often dry equation-based texts." -Journal of the American Chemical Society Written especially for the novice, Molecular Dynamics Simulation demonstrates how molecular dynamics simulations work and how to perform them, focusing on how to devise a model for specific molecules and then how to simulate their movements using a computer. This book provides a collection of methods that until now have been scattered through the literature of the last 25 years. It reviews elements of sampling theory and discusses how modern notions of chaos and nonlinear dynamics explain the workings of molecular dynamics. Stresses easy-to-use molecules * Provides sample calculations and figures * Includes four complete FORTRAN codes

Advances in Planar Lipid Bilayers and Liposomes

Author : A. Leitmannova Liu
Publisher : Elsevier
ISBN 13 : 0080461999
Total Pages : 371 pages
Book Rating : 4.0/5 (84 download)

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Book Synopsis Advances in Planar Lipid Bilayers and Liposomes by : A. Leitmannova Liu

Download or read book Advances in Planar Lipid Bilayers and Liposomes written by A. Leitmannova Liu and published by Elsevier. This book was released on 2006-04-25 with total page 371 pages. Available in PDF, EPUB and Kindle. Book excerpt: The lipid bilayer is central to life, as all living organisms possess a lipid bilayer structure, thereby underlying the lipid bilayer principle of biomembranes. The lipid bilayer principle and its applications are the main theme of this new book series.This new series on bilayer lipid membranes (BLMs and liposomes) include invited chapters on a broad range of topics, from theoretical investigations, specific studies, experimental methods, to practical applications. Written for newcomers, experienced scientists, and those who are not familiar with these specific research areas, the Series covers all aspects of lipid bilayer investigations, both fundamental and applied.* Covers a broad range of topics ranging from theoretical research, specific studies, experimental methods, to practical applications* Authoritative timely reviews by experts in this field* Indispensable source of information for new scientists

Solubility, Delivery and ADME Problems of Drugs and Drug Candidates

Author : Karoly Karoly Tihanyi
Publisher : Bentham Science Publishers
ISBN 13 : 160805120X
Total Pages : 239 pages
Book Rating : 4.6/5 (8 download)

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Book Synopsis Solubility, Delivery and ADME Problems of Drugs and Drug Candidates by : Karoly Karoly Tihanyi

Download or read book Solubility, Delivery and ADME Problems of Drugs and Drug Candidates written by Karoly Karoly Tihanyi and published by Bentham Science Publishers. This book was released on 2011-09-20 with total page 239 pages. Available in PDF, EPUB and Kindle. Book excerpt: "This comprehensive ebook covers all the aspects of ADME/PK modeling including solubility, absorption, formulation, metabolic stability, drug-drug interaction potential and a special delivery tool of drug candidates. The book provides an integrated view of"

Free Energy Calculations

Author : Christophe Chipot
Publisher : Springer Science & Business Media
ISBN 13 : 3540384472
Total Pages : 528 pages
Book Rating : 4.5/5 (43 download)

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Book Synopsis Free Energy Calculations by : Christophe Chipot

Download or read book Free Energy Calculations written by Christophe Chipot and published by Springer Science & Business Media. This book was released on 2007-01-08 with total page 528 pages. Available in PDF, EPUB and Kindle. Book excerpt: Free energy constitutes the most important thermodynamic quantity to understand how chemical species recognize each other, associate or react. Examples of problems in which knowledge of the underlying free energy behaviour is required, include conformational equilibria and molecular association, partitioning between immiscible liquids, receptor-drug interaction, protein-protein and protein-DNA association, and protein stability. This volume sets out to present a coherent and comprehensive account of the concepts that underlie different approaches devised for the determination of free energies. The reader will gain the necessary insight into the theoretical and computational foundations of the subject and will be presented with relevant applications from molecular-level modelling and simulations of chemical and biological systems. Both formally accurate and approximate methods are covered using both classical and quantum mechanical descriptions. A central theme of the book is that the wide variety of free energy calculation techniques available today can be understood as different implementations of a few basic principles. The book is aimed at a broad readership of graduate students and researchers having a background in chemistry, physics, engineering and physical biology.

Molecular Drug Properties

Author : Raimund Mannhold
Publisher : John Wiley & Sons
ISBN 13 : 3527621296
Total Pages : 502 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis Molecular Drug Properties by : Raimund Mannhold

Download or read book Molecular Drug Properties written by Raimund Mannhold and published by John Wiley & Sons. This book was released on 2008-06-25 with total page 502 pages. Available in PDF, EPUB and Kindle. Book excerpt: This first systematic overview for more than a decade is tailor-made for the medicinal chemist. All the chapters are written by experienced drug developers and include practical examples from real drug candidates. Following an introduction to global drug properties and their impact on drug research, screening and combinatorial chemistry libraries, this handbook demonstrates the best and fastest way to estimate those properties most relevant for the efficiency and pharmacokinetic performance of a drug molecule: lipophilicity,solubility, electronic properties and conformation.

Applied Case Studies and Solutions in Molecular Docking-Based Drug Design

Author : Dastmalchi, Siavoush
Publisher : IGI Global
ISBN 13 : 1522503633
Total Pages : 386 pages
Book Rating : 4.5/5 (225 download)

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Book Synopsis Applied Case Studies and Solutions in Molecular Docking-Based Drug Design by : Dastmalchi, Siavoush

Download or read book Applied Case Studies and Solutions in Molecular Docking-Based Drug Design written by Dastmalchi, Siavoush and published by IGI Global. This book was released on 2016-05-11 with total page 386 pages. Available in PDF, EPUB and Kindle. Book excerpt: As the pharmaceutical industry continues to advance, new techniques in drug design are emerging. In order to deliver optimum care to patients, the development of innovative pharmacological techniques has become a widely studied topic. Applied Case Studies and Solutions in Molecular Docking-Based Drug Design is a pivotal reference source for the latest scholarly research on the progress of pharmaceutical design and computational approaches in the field of molecular docking. Highlighting innovative research perspectives and real-world applications, this book is ideally designed for professionals, researchers, practitioners, and medical chemists actively involved in computational chemistry and pharmaceutical sciences.

Modelling the Toxicity of Nanoparticles

Author : Lang Tran
Publisher : Springer
ISBN 13 : 3319477544
Total Pages : 360 pages
Book Rating : 4.3/5 (194 download)

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Book Synopsis Modelling the Toxicity of Nanoparticles by : Lang Tran

Download or read book Modelling the Toxicity of Nanoparticles written by Lang Tran and published by Springer. This book was released on 2017-02-06 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: In today’s nanotechnology and pharmaceutical research, alternative toxicology testing methods are crucial for ethically and commercially sound practice. This book provides practical guidelines on how to develop and validate quantitative nanostructure-toxicity relationship (QNTR) models, which are ideal for rapidly exploring the effects of a large number of variables in complex scenarios. Through contributions by academic, industrial, and governmental experts, Modelling the Toxicity of Nanoparticles delivers clear instruction on these methods and their integration and use in risk assessment. Specific topics include the physico-chemical characteristics of engineered nanoparticles, nanoparticle interactions, in vivo nanoparticle processing, and more. A much-needed practical guide, Modelling the Toxicity of Nanoparticles is a key text for researchers as well as government and industry regulators.

Statistical Thermodynamics Of Surfaces, Interfaces, And Membranes

Author : Samuel Safran
Publisher : CRC Press
ISBN 13 : 0429976763
Total Pages : 204 pages
Book Rating : 4.4/5 (299 download)

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Book Synopsis Statistical Thermodynamics Of Surfaces, Interfaces, And Membranes by : Samuel Safran

Download or read book Statistical Thermodynamics Of Surfaces, Interfaces, And Membranes written by Samuel Safran and published by CRC Press. This book was released on 2018-03-08 with total page 204 pages. Available in PDF, EPUB and Kindle. Book excerpt: Understanding the structural and thermodynamic properties of surfaces, interfaces, and membranes is important for both fundamental and practical reasons. Important applications include coatings, dispersants, encapsulating agents, and biological materials. Soft materials, important in the development of new materials and the basis of many biological systems, cannot be designed using trial and error methods due to the multiplicity of components and parameters. While these systems can sometimes be analyzed in terms of microscopic mixtures, it is often conceptually simpler to regard them as dispersions and to focus on the properties of the internal interfaces found in these systems. The basic physics centers on the properties of quasi-two-dimensional systems embedded in the three-dimensional world, thus exhibiting phenomena that do not exist in bulk materials. This approach is the basis behind the theoretical presentation of Statistical Thermodynamics of Surfaces, Interfaces, and Membranes. The approach adapted allows one to treat the rich diversity of phenomena investigated in the field of soft matter physics (including both colloid/interface science as well as the materials and macromolecular aspects of biological physics) such as interfacial tension, the roughening transition, wetting, interactions between surfaces, membrane elasticity, and self-assembly. Presented as a set of lecture notes, this book is aimed at physicists, physical chemists, biological physicists, chemical engineers, and materials scientists who are interested in the statistical mechanics that underlie the macroscopic, thermodynamic properties of surfaces, interfaces, and membranes. This paperback edition contains all the material published in the original hard-cover edition as well as additional clarifications and explanations.

Membrane Biophysics

Author : Mohammad Ashrafuzzaman
Publisher : Springer Science & Business Media
ISBN 13 : 3642161057
Total Pages : 190 pages
Book Rating : 4.6/5 (421 download)

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Book Synopsis Membrane Biophysics by : Mohammad Ashrafuzzaman

Download or read book Membrane Biophysics written by Mohammad Ashrafuzzaman and published by Springer Science & Business Media. This book was released on 2012-08-28 with total page 190 pages. Available in PDF, EPUB and Kindle. Book excerpt: Physics, mathematics and chemistry all play a vital role in understanding the true nature and functioning of biological membranes, key elements of living processes. Besides simple spectroscopic observations and electrical measurements of membranes we address in this book the phenomena of coexistence and independent existence of different membrane components using various theoretical approaches. This treatment will be helpful for readers who want to understand biological processes by applying both simple observations and fundamental scientific analysis. It provides a deep understanding of the causes and effects of processes inside membranes, and will thus eventually open new doors for high-level pharmaceutical approaches towards fighting membrane- and cell-related diseases.

Advances in Biomembranes and Lipid Self-Assembly

Author :
Publisher : Academic Press
ISBN 13 : 0128157739
Total Pages : 264 pages
Book Rating : 4.1/5 (281 download)

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Book Synopsis Advances in Biomembranes and Lipid Self-Assembly by :

Download or read book Advances in Biomembranes and Lipid Self-Assembly written by and published by Academic Press. This book was released on 2018-02-24 with total page 264 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Biomembranes and Lipid Self-Assembly, Volume 27, formerly titled Advances in Planar Lipid Bilayers and Liposomes, provides a global platform for a broad community of experimental and theoretical researchers studying cell membranes, lipid model membranes, and lipid self-assemblies from the micro- to the nanoscale. The assortment of chapters in this volume represents both original research and comprehensive reviews written by world leading experts and young researchers, with topics of note in this release including TiO2 Nanomaterials as Electrochemical Biosensors for Cancer, the Reconstitution of Ion Channels in Planar Lipid Bilayers: New Approaches, and Shear-Induced Lamellar/Onion Transition in Surfactant Systems. - Surveys recent theoretical and experimental results on lipid micro- and nanostructures - Presents potential uses of applications, like clinically relevant diagnostic and therapeutic procedures, biotechnology, pharmaceutical engineering and food products - Includes both original research and comprehensive reviews written by world leading experts and young researchers - Provides a global platform for a broad community of experimental and theoretical researchers studying cell membranes, lipid model membranes and lipid self-assemblies, from micro to nanoscale

Liposomes, Lipid Bilayers and Model Membranes

Author : Georg Pabst
Publisher : CRC Press
ISBN 13 : 146650711X
Total Pages : 470 pages
Book Rating : 4.4/5 (665 download)

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Book Synopsis Liposomes, Lipid Bilayers and Model Membranes by : Georg Pabst

Download or read book Liposomes, Lipid Bilayers and Model Membranes written by Georg Pabst and published by CRC Press. This book was released on 2014-03-04 with total page 470 pages. Available in PDF, EPUB and Kindle. Book excerpt: As a result of their unique physical properties, biological membrane mimetics, such as liposomes, are used in a broad range of scientific and technological applications. Liposomes, Lipid Bilayers and Model Membranes: From Basic Research to Application describes state-of-the-art research and future directions in the field of membranes, which has evo

NanoFormulation

Author : Gordon Tiddy
Publisher : Royal Society of Chemistry
ISBN 13 : 1849733783
Total Pages : 283 pages
Book Rating : 4.8/5 (497 download)

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Book Synopsis NanoFormulation by : Gordon Tiddy

Download or read book NanoFormulation written by Gordon Tiddy and published by Royal Society of Chemistry. This book was released on 2012 with total page 283 pages. Available in PDF, EPUB and Kindle. Book excerpt: NanoFormulation covers advances in research, development and applications of innovative formulation technologies where nanomaterials play an essential role.

Concepts and Experimental Protocols of Modelling and Informatics in Drug Design

Author : Om Silakari
Publisher : Academic Press
ISBN 13 : 0128205474
Total Pages : 398 pages
Book Rating : 4.1/5 (282 download)

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Book Synopsis Concepts and Experimental Protocols of Modelling and Informatics in Drug Design by : Om Silakari

Download or read book Concepts and Experimental Protocols of Modelling and Informatics in Drug Design written by Om Silakari and published by Academic Press. This book was released on 2020-11-05 with total page 398 pages. Available in PDF, EPUB and Kindle. Book excerpt: Concepts and Experimental Protocols of Modelling and Informatics in Drug Design discusses each experimental protocol utilized in the field of bioinformatics, focusing especially on computer modeling for drug development. It helps the user in understanding the field of computer-aided molecular modeling (CAMM) by presenting solved exercises and examples. The book discusses topics such as fundamentals of molecular modeling, QSAR model generation, protein databases and how to use them to select and analyze protein structure, and pharmacophore modeling for drug targets. Additionally, it discusses data retrieval system, molecular surfaces, and freeware and online servers. The book is a valuable source for graduate students and researchers on bioinformatics, molecular modeling, biotechnology and several members of biomedical field who need to understand more about computer-aided molecular modeling. - Presents exercises with solutions to aid readers in validating their own protocol - Brings a thorough interpretation of results of each exercise to help readers compare them to their own study - Explains each parameter utilized in the algorithms to help readers understand and manipulate various features of molecules and target protein to design their study

9789815223026

Author : Dilpreet Singh, Prashant Tiwari
Publisher : Bentham Science Publishers
ISBN 13 : 981522302X
Total Pages : 339 pages
Book Rating : 4.8/5 (152 download)

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Book Synopsis 9789815223026 by : Dilpreet Singh, Prashant Tiwari

Download or read book 9789815223026 written by Dilpreet Singh, Prashant Tiwari and published by Bentham Science Publishers. This book was released on 2024-03-25 with total page 339 pages. Available in PDF, EPUB and Kindle. Book excerpt: Software and Programming Tools in Pharmaceutical Research is a detailed primer on the use for computer programs in the design and development of new drugs. Chapters offer information about different programs and computational techniques in pharmacology. The book will help readers to harness computer technologies in pharmaceutical investigations. Readers will also appreciate the pivotal role that software applications and programming tools play in revolutionizing the pharmaceutical industry. The book includes nine structured chapters, each addressing a critical aspect of pharmaceutical research and software utilization. From an introduction to pharmaceutical informatics and computational chemistry to advanced topics like molecular modeling, data mining, and high-throughput screening, this book covers a wide range of topics. Key Features: · Practical Insights: Presents practical knowledge on how to effectively utilize software tools in pharmaceutical research. · Interdisciplinary Approach: Bridges the gap between pharmaceutical science and computer science · Cutting-Edge Topics: Covers the latest advancements in computational drug development, including data analysis and visualization techniques, drug repurposing, pharmacokinetic modelling and screening. · Recommendations for Tools: Includes informative tables for software tools · Referenced content: Includes scientific references for advanced readers The book is an ideal primer for students and educators in pharmaceutical science and computational biology, providing a comprehensive foundation for this rapidly evolving field. It is also an essential resource for pharmaceutical researchers, scientists, and professionals looking to enhance their understanding of software tools and programming in drug development.

Computational Pharmaceutics

Author : Defang Ouyang
Publisher : John Wiley & Sons
ISBN 13 : 1118573978
Total Pages : 350 pages
Book Rating : 4.1/5 (185 download)

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Book Synopsis Computational Pharmaceutics by : Defang Ouyang

Download or read book Computational Pharmaceutics written by Defang Ouyang and published by John Wiley & Sons. This book was released on 2015-05-19 with total page 350 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular modeling techniques have been widely used in drug discovery fields for rational drug design and compound screening. Now these techniques are used to model or mimic the behavior of molecules, and help us study formulation at the molecular level. Computational pharmaceutics enables us to understand the mechanism of drug delivery, and to develop new drug delivery systems. The book discusses the modeling of different drug delivery systems, including cyclodextrins, solid dispersions, polymorphism prediction, dendrimer-based delivery systems, surfactant-based micelle, polymeric drug delivery systems, liposome, protein/peptide formulations, non-viral gene delivery systems, drug-protein binding, silica nanoparticles, carbon nanotube-based drug delivery systems, diamond nanoparticles and layered double hydroxides (LDHs) drug delivery systems. Although there are a number of existing books about rational drug design with molecular modeling techniques, these techniques still look mysterious and daunting for pharmaceutical scientists. This book fills the gap between pharmaceutics and molecular modeling, and presents a systematic and overall introduction to computational pharmaceutics. It covers all introductory, advanced and specialist levels. It provides a totally different perspective to pharmaceutical scientists, and will greatly facilitate the development of pharmaceutics. It also helps computational chemists to look for the important questions in the drug delivery field. This book is included in the Advances in Pharmaceutical Technology book series.

Dosage Forms, Formulation Developments and Regulations

Author : Amit Kumar Nayak
Publisher : Elsevier
ISBN 13 : 0323972462
Total Pages : 759 pages
Book Rating : 4.3/5 (239 download)

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Book Synopsis Dosage Forms, Formulation Developments and Regulations by : Amit Kumar Nayak

Download or read book Dosage Forms, Formulation Developments and Regulations written by Amit Kumar Nayak and published by Elsevier. This book was released on 2023-12-09 with total page 759 pages. Available in PDF, EPUB and Kindle. Book excerpt: Dosage Forms, Formulation Developments and Regulations, Volume One in the Recent and Future Trends in Pharmaceutics series, explores aspects of pharmaceutics, with an original approach focused on technology, novelties and future trends in the field. The book discusses the most recent developments in pharmaceutical preformulation and formulation studies, biopharmaceutics and novel pharmaceutical formulations, regulatory affairs, and good manufacturing practices. Exciting areas such as formulation strategies, optimization techniques, the biopharmaceutical classification system, and pharmaceutical aerosols are included. The field of pharmaceutics is highly dynamic and rapidly expanding day-by-day, so it demands a variety of amplified efforts for designing and developing pharmaceutical processes and formulation strategies. This is an essential reference for researchers in academia and industry as well as advanced graduate students in pharmaceutics. - Examines trends and recent technologies in dosage, formulation and regulation - Contains contributions from leading experts in academia, research, industry and regulatory agencies - Includes high-quality illustrations, flow charts and tables for easy understanding of concepts - Discusses practical examples and research case studies