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

Download or read book Drug biomembrane interaction studies written by R. Pignatello and published by Elsevier Inc. Chapters. This book was released on 2013-10-31 with total page 23 pages. Available in PDF, EPUB and Kindle. Book excerpt: DSC studies of the interaction between drugs or other biologically active compounds with biomembrane models has often been associated or integrated with other analytical methodologies. The information gained from various techniques can depict the different and complex elements that compose such interactions. This chapter will summarize some recent examples of successfully combining DSC with other physico-chemical methods, such as spectroscopy, chromatography, calorimetry, the Langmuir–Blodgett film technique and microscopy.

Download or read book Peptide Lipid Interactions written by Sidney A. Simon and published by Academic Press. This book was released on 2002-11-13 with total page 606 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume contains a comprehensive overview of peptide-lipid interactions by leading researchers. The first part covers theoretical concepts, experimental considerations, and thermodynamics. The second part presents new results obtained through site-directed EPR, electron microscopy, NMR, isothermal calorimetry, and fluorescence quenching. The final part covers problems of biological interest, including signal transduction, membrane transport, fusion, and adhesion. Key Features * world-renowned experts * state-of-the-art experimental methods * monolayers, bilayers, biological membranes * theoretical aspects and computer simulations * rafts * synaptic transmission * membrane fusion * signal transduction

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.

Download or read book Refractive Increment Data book for Polymer and Biomolecular Scientists written by A. Theisen and published by . This book was released on 2000 with total page 70 pages. Available in PDF, EPUB and Kindle. Book excerpt: This survey - of published experimental values for the refractive index increment (dn/dc) for specific macromolecules in specific solvents and conditions - should be of use to those using the techniques of light scattering, analytical untracentrifugation, viscometry and refractive index detection.

Download or read book Drug Membrane Interactions written by Joachim K. Seydel and published by John Wiley & Sons. This book was released on 2009-07-10 with total page 367 pages. Available in PDF, EPUB and Kindle. Book excerpt: Barrier, reservoir, target site - those are but some of the possible functions of biological lipid membranes in the complex interplay of drugs with the organism. A detailed knowledge of lipid membranes and of the various modes of drug-membrane interaction is therefore the prerequisite for a better understanding of drug action. Many of today's pharmaceuticals are amphiphilic or catamphiphilic, enabling them to interact with biological membranes. Crucial membrane properties are surveyed and techniques to elucidate drug-membrane interactions presented, including computer-aided predictions. Effects of membrane interaction on drug action and drug distribution are discussed, and numerous examples are given. This unique reference volume builds on the authors' long experience in the study of drug-membrane interaction. Recommended reading for everyone involved in pharmaceutical research.

Download or read book Analytical Techniques in the Pharmaceutical Sciences written by Anette Müllertz and published by Springer. This book was released on 2016-08-30 with total page 829 pages. Available in PDF, EPUB and Kindle. Book excerpt: The aim of this book is to present a range of analytical methods that can be used in formulation design and development and focus on how these systems can be applied to understand formulation components and the dosage form these build. To effectively design and exploit drug delivery systems, the underlying characteristic of a dosage form must be understood--from the characteristics of the individual formulation components, to how they act and interact within the formulation, and finally, to how this formulation responds in different biological environments. To achieve this, there is a wide range of analytical techniques that can be adopted to understand and elucidate the mechanics of drug delivery and drug formulation. Such methods include e.g. spectroscopic analysis, diffractometric analysis, thermal investigations, surface analytical techniques, particle size analysis, rheological techniques, methods to characterize drug stability and release, and biological analysis in appropriate cell and animal models. Whilst each of these methods can encompass a full research area in their own right, formulation scientists must be able to effectively apply these methods to the delivery system they are considering. The information in this book is designed to support researchers in their ability to fully characterize and analyze a range of delivery systems, using an appropriate selection of analytical techniques. Due to its consideration of regulatory approval, this book will also be suitable for industrial researchers both at early stage up to pre-clinical research.

Download or read book Research Awards Index written by and published by . This book was released on 1989 with total page 742 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book ABC Transporters Biochemical Cellular and Molecular Aspects written by Suresh V. Ambudkar and published by Gulf Professional Publishing. This book was released on 1998-07-31 with total page 902 pages. Available in PDF, EPUB and Kindle. Book excerpt: The critically acclaimed laboratory standard for more than forty years, Methods in Enzymology is one of the most highly respected publications in the field of biochemistry. Since 1955, each volume has been eagerly awaited, frequently consulted, and praised by researchers and reviewers alike. More than 285 volumes have been published (all of them still in print) and much of the material is relevant even today-truly an essential publication for researchersin all fields of life sciences. Prokaryotic ABC Transporters Eukaryotic ABC Transporters Nonmammalian ABC Transport Systems Mammalian P-Glycoproteins Multidrug Resistance Associated Protein Cystic Fibrosis Transmembrane Conductance Regulator Sulfonylurea Receptor Intracellular ABC Transporters

Download or read book Drug like Properties Concepts Structure Design and Methods written by Li Di and published by Elsevier. This book was released on 2010-07-26 with total page 549 pages. Available in PDF, EPUB and Kindle. Book excerpt: Of the thousands of novel compounds that a drug discovery project team invents and that bind to the therapeutic target, typically only a fraction of these have sufficient ADME/Tox properties to become a drug product. Understanding ADME/Tox is critical for all drug researchers, owing to its increasing importance in advancing high quality candidates to clinical studies and the processes of drug discovery. If the properties are weak, the candidate will have a high risk of failure or be less desirable as a drug product. This book is a tool and resource for scientists engaged in, or preparing for, the selection and optimization process. The authors describe how properties affect in vivo pharmacological activity and impact in vitro assays. Individual drug-like properties are discussed from a practical point of view, such as solubility, permeability and metabolic stability, with regard to fundamental understanding, applications of property data in drug discovery and examples of structural modifications that have achieved improved property performance. The authors also review various methods for the screening (high throughput), diagnosis (medium throughput) and in-depth (low throughput) analysis of drug properties. - Serves as an essential working handbook aimed at scientists and students in medicinal chemistry - Provides practical, step-by-step guidance on property fundamentals, effects, structure-property relationships, and structure modification strategies - Discusses improvements in pharmacokinetics from a practical chemist's standpoint

Download or read book NMR Spectroscopy in Drug Development and Analysis written by Ulrike Holzgrabe and published by John Wiley & Sons. This book was released on 2008-07-11 with total page 312 pages. Available in PDF, EPUB and Kindle. Book excerpt: Since the development of the NMR spectrometer in the 1950s, NMR spectra have been widely used for the elucidation of the 2D structure of newly synthesized and natural compounds. In the 1980s, the high-resolution NMR spectrometer (> 300 Mhz) and 2D experiments were introduced, which opens up the possibility to determine the 3D structure of large molecules, especially biomolecules. However, NMR spectroscopy has been rarely applied to drug analysis. This book illustrates the power and versatility of NMR spectroscopy in the determination of impurities in and the content of drugs, the composition of polymer excipients, the characterization of isomeric drug mixtures, the complexity of drugs with small-size components or ions, and the behavior of drugs in acid and basic solution. In addition, NMR spectroscopy and especially the hyphenated technique with HPLC is shown to be a powerful tool to measure a drug and its metabolites in various body fluids. The solid state NMR technique can give information on the structure, especially the conformation of drugs and excipients in drug formulations. Recently, SAR by NMR, introduced by Fesik, impressively demonstrated the potential of NMR spectroscopy in drug development and in the characterization of the interaction between large molecules and ligands. The complexation between proteins, lipids and cyclodextrins with drugs is described. Finally, NMR imaging (MRI and MRS) can be used to characterize the liberation of drugs from a drug formulation. Furthermore, the distribution of substances in plants, in animals, in tissues and in humans can be visualized by imaging. In short, this book covers all aspects of drug analysis.

Download or read book Subject Index of Current Research Grants and Contracts Administered by the National Heart Lung and Blood Institute written by National Heart, Lung, and Blood Institute and published by . This book was released on 1975 with total page 486 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Cumulated Index Medicus written by and published by . This book was released on 1996 with total page 1340 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Advances in Bioanalytical Methods for Probing Ligand Target Interactions written by Quezia B. Cass and published by Frontiers Media SA. This book was released on 2020-07-02 with total page 128 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Graduate Studies written by and published by . This book was released on 1991 with total page 1188 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Membrane Lipids written by Charles G. Cranfield and published by Humana. This book was released on 2021-12-02 with total page 300 pages. Available in PDF, EPUB and Kindle. Book excerpt: This detailed book explores examples of current in vitro and in silico techniques that are at the forefront of lipid membrane research today. Beginning with methods and strategies associated with the creation and use of lipid membrane models in various research settings, the volume continues with electrical impedance spectroscopy strategies and methods to identify how ions and proteins interact with model lipid bilayers, guidance on lipid bilayer in silico molecular dynamics modeling, novel techniques to explore lipid bilayer characteristics using neutron scattering, IR spectroscopy, and atomic force microscopy (AFM), as well as unique fluorescence techniques. Written in the highly successful Methods in Molecular Biology series style, chapters include introductions to their respective topics, lists of the necessary materials, step-by-step, readily reproducible laboratory protocols, and tips on troubleshooting and avoiding known pitfalls. Authoritative and cutting-edge, Membrane Lipids: Methods and Protocols serves as an ideal guide for researchers seeking to further investigate the often complicated world of lipid membrane biophysics.

Download or read book Index Medicus written by and published by . This book was released on 2004 with total page 1930 pages. Available in PDF, EPUB and Kindle. Book excerpt: Vols. for 1963- include as pt. 2 of the Jan. issue: Medical subject headings.