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Cellular Membrane Dynamics And Algorithms For Studying Their Interactions With Pharmaceutical Compounds
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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
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 2015-07-20 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.
Book Synopsis Pacific Symposium on Biocomputing 2007 by : Russ Altman
Download or read book Pacific Symposium on Biocomputing 2007 written by Russ Altman and published by World Scientific. This book was released on 2006 with total page 526 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Pacific Symposium on Biocomputing (PSB) 2007 is an international, multidisciplinary conference for the presentation and discussion of current research in the theory and application of computational methods in problems of biological significance. Presentations are rigorously peer reviewed and are published in an archival proceedings volume. PSB 2007 will be held January 3OCo7, 2007 at the Grand Wailea, Maui. Tutorials will be offered prior to the start of the conference. PSB 2007 will bring together top researchers from the US, the Asian Pacific nations, and around the world to exchange research results and address open issues in all aspects of computational biology. It is a forum for the presentation of work in databases, algorithms, interfaces, visualization, modeling, and other computational methods, as applied to biological problems, with emphasis on applications in data-rich areas of molecular biology. The PSB has been designed to be responsive to the need for critical mass in sub-disciplines within biocomputing. For that reason, it is the only meeting whose sessions are defined dynamically each year in response to specific proposals. PSB sessions are organized by leaders of research in biocomputing''s OC hot topics.OCO In this way, the meeting provides an early forum for serious examination of emerging methods and approaches in this rapidly changing field. Sample Chapter(s). Chapter 1: Protein Interactions and Disease (106 KB). Contents: Protein Interactions and Disease; Computational Approaches to Metabolomics; New Frontiers in Biomedical Text Mining; Biodiversity Informatics: Managing Knowledge Beyond Humans and Model Organisms; Computational Proteomics: High-Throughput Analysis for Systems Biology; DNA-Protein Interactions: Integrating Structure, Sequence, and Function. Readership: Academia and industry in the fields of biocomputing, bioinformatics and computational biology."
Book Synopsis Women in Science: Materials by : Maria Chiara Bignozzi
Download or read book Women in Science: Materials written by Maria Chiara Bignozzi and published by Frontiers Media SA. This book was released on 2021-07-01 with total page 445 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Frontiers in Materials Editorial Office team are delighted to present the inaugural “Women in Science: Materials” article collection, showcasing the high-quality work of women in science across the breadth of materials science and engineering. All researchers featured within this collection were individually nominated by the Topic Editors in recognition of their status as leading academics who have great potential to influence the future directions of their respective fields. The work presented here highlights the diversity of research performed across the entire breadth of the materials science and engineering field and presents advances in theory, experimentation, and methodology with applications for solving compelling problems. This Editorial features the corresponding author(s) of each paper published within this important collection, ordered by section alphabetically, highlighting them as the great researchers of the future. The Frontiers in Materials Editorial Office team would like to thank each researcher who contributed their work to this collection. We would also like to personally thank the Topic Editors for their exemplary leadership of this article collection; their strong support and passion for this important, community-driven collection has ensured its success and global impact. Emily Young Journal Development Manager
Book Synopsis Molecular Dynamics and Machine Learning in Drug Discovery by : Sergio Decherchi
Download or read book Molecular Dynamics and Machine Learning in Drug Discovery written by Sergio Decherchi and published by Frontiers Media SA. This book was released on 2021-06-08 with total page 119 pages. Available in PDF, EPUB and Kindle. Book excerpt: Dr. Sergio Decherchi and Dr. Andrea Cavalli are co-founders of BiKi Technologies s.r.l. - a company that commercializes a Molecular Dynamics-based software suite for drug discovery. All other Topic Editors declare no competing interests with regards to the Research Topic subject.
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.
Book Synopsis Effects of cell interactions at the endothelium in leukocyte differentiation and polarization during inflammation by : Alain Haziot
Download or read book Effects of cell interactions at the endothelium in leukocyte differentiation and polarization during inflammation written by Alain Haziot and published by Frontiers Media SA. This book was released on 2023-11-27 with total page 201 pages. Available in PDF, EPUB and Kindle. Book excerpt: A complex exchange of signals between endothelial cells and tissues occurs during steady-state and in inflammatory conditions. These interactions involve numerous cell types including an active contribution from endothelial cells and occur on both sides of the endothelial monolayer. In addition to functioning as selective permeability barriers, it is increasingly recognized that local cell attraction to endothelial cells provides the potential for focal interactions between relevant cells. In this context, cellular interactions taking place at the surface of the endothelium and within the perivascular spaces are thought to initiate crucial steps in the generation and shaping of immune responses. Blood elements (such as leukocytes, platelets, and vesicles) converge to the barrier formed by the endothelium where perivascular (such as macrophages, pericytes) initiate, convey, and/or amplify signals revealing tissue status. The innate and adaptative functions of endothelial cells themselves together with the immune functions of assembled cells at a focal point in capillaries create the potential for exchange of signals and dynamic fine tuning of responses through cell programming and cell selection. The resulting immune response may range from inadequate immunity and/or exhaustion to excess tissue destruction and fibrosis. Productive inflammation and its resolution are critically reliant on which cells are recruited and in which order, their state of activation, and interactions between recruited cells. Tissue-dependent signals further shape the recruitment of leukocytes to the endothelium. In the kidney for instance, in the presence of immune complexes, perivascular resident macrophages located in subendothelial spaces coupled with endothelial cells induce monocyte and neutrophil tissue infiltration, operating therefore as an anatomical and functional unit. The goals of this Research Topic are (i) to analyze how signal integration and partnering of cell types in transendothelial migration contribute to the development of tissue inflammation and how responses are geared towards specific profiles of reactions to injury; (ii) how the interplay between cell types including, but not limited to, endothelial cells, monocytes, resident macrophages, and T and B cells dynamically governs the immune responses that take place in the tissue; (iii) in which way do integrative capacities of endothelial and subendothelial cells shape and coordinate the successive recruitment of leukocyte populations.
Book Synopsis Pharmacoinformatics: New developments and challenges in drug design by : José L. Medina-Franco
Download or read book Pharmacoinformatics: New developments and challenges in drug design written by José L. Medina-Franco and published by Frontiers Media SA. This book was released on 2024-08-08 with total page 146 pages. Available in PDF, EPUB and Kindle. Book excerpt: Pharmacoinformatics combines bio- and chemoinformatics approaches as well as artificial intelligence to support drug design and development at various stages, starting from preclinical research support to clinical trial design and execution support (stages I, II and III), as well as pharmacovigilance, pharmacoeconomics and personalized medicine. The rational use of these methods, combined with the relevant experimental approaches, is crucial to face the new challenges in drug design and development.
Book Synopsis Computer Aided Pharmaceutics and Drug Delivery by : Vikas Anand Saharan
Download or read book Computer Aided Pharmaceutics and Drug Delivery written by Vikas Anand Saharan and published by Springer Nature. This book was released on 2022-05-30 with total page 767 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book examines the role of computer-assisted techniques for discovering, designing, optimizing and manufacturing new, effective, and safe pharmaceutical formulations and drug delivery systems. The book discusses computational approaches, statistical modeling and molecular modeling for the development and safe delivery of drugs in humans. The application of concepts of QbD (Quality by Design), DoE (Design of Experiments), artificial intelligence and in silico pharmacokinetic assessment/simulation have been made a lot easier with the help of commercial software and expert systems. This title provides in-depth knowledge of such useful software with illustrations from the latest researches. The book also fills in the gap between pharmaceutics and molecular modeling at micro, meso and maro scale by covering topics such as advancements in computer-aided Drug Design (CADD), drug-polymer interactions in drug delivery systems, molecular modeling of nanoparticles and pharmaceutics/bioinformatics. This book provides abundant applications of computers in formulation designing and characterization are provided as examples, case studies and illustrations. Short reviews of software, databases and expert systems have also been added to culminate the interest of readers for novel applications in formulation development and drug delivery. Computer-aided pharmaceutics and drug delivery is an authoritative reference source for all the latest scholarly update on emerging developments in computed assisted techniques for drug designing and development. The book is ideally designed for pharmacists, medical practitioners, students and researchers.
Book Synopsis Biocomputing 2007 - Proceedings Of The Pacific Symposium by : Russ B Altman
Download or read book Biocomputing 2007 - Proceedings Of The Pacific Symposium written by Russ B Altman and published by World Scientific. This book was released on 2006-12-11 with total page 525 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Pacific Symposium on Biocomputing (PSB) 2007 is an international, multidisciplinary conference for the presentation and discussion of current research in the theory and application of computational methods in problems of biological significance. Presentations are rigorously peer reviewed and are published in an archival proceedings volume. PSB 2007 will be held January 3-7, 2007 at the Grand Wailea, Maui. Tutorials will be offered prior to the start of the conference.PSB 2007 will bring together top researchers from the US, the Asian Pacific nations, and around the world to exchange research results and address open issues in all aspects of computational biology. It is a forum for the presentation of work in databases, algorithms, interfaces, visualization, modeling, and other computational methods, as applied to biological problems, with emphasis on applications in data-rich areas of molecular biology.The PSB has been designed to be responsive to the need for critical mass in sub-disciplines within biocomputing. For that reason, it is the only meeting whose sessions are defined dynamically each year in response to specific proposals. PSB sessions are organized by leaders of research in biocomputing's “hot topics.” In this way, the meeting provides an early forum for serious examination of emerging methods and approaches in this rapidly changing field.
Download or read book Index Medicus written by and published by . This book was released on 2004 with total page 2520 pages. Available in PDF, EPUB and Kindle. Book excerpt: Vols. for 1963- include as pt. 2 of the Jan. issue: Medical subject headings.
Book Synopsis Polymeric Nano-Biomaterials for Medical Applications: Advancements in Developing and Implementation Considering Safety-By-Design Concepts by : Gerrit Borchard
Download or read book Polymeric Nano-Biomaterials for Medical Applications: Advancements in Developing and Implementation Considering Safety-By-Design Concepts written by Gerrit Borchard and published by Frontiers Media SA. This book was released on 2020-12-22 with total page 241 pages. Available in PDF, EPUB and Kindle. Book excerpt: This eBook is a collection of articles from a Frontiers Research Topic. Frontiers Research Topics are very popular trademarks of the Frontiers Journals Series: they are collections of at least ten articles, all centered on a particular subject. With their unique mix of varied contributions from Original Research to Review Articles, Frontiers Research Topics unify the most influential researchers, the latest key findings and historical advances in a hot research area! Find out more on how to host your own Frontiers Research Topic or contribute to one as an author by contacting the Frontiers Editorial Office: frontiersin.org/about/contact.
Download or read book Research Awards Index written by and published by . This book was released on 1987 with total page 852 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Peptide-Lipid Interactions by : Sidney A. Simon
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
Book Synopsis Coarse-Graining of Condensed Phase and Biomolecular Systems by : Gregory A. Voth
Download or read book Coarse-Graining of Condensed Phase and Biomolecular Systems written by Gregory A. Voth and published by CRC Press. This book was released on 2008-09-22 with total page 492 pages. Available in PDF, EPUB and Kindle. Book excerpt: Exploring recent developments in the field, Coarse-Graining of Condensed Phase and Biomolecular Systems examines systematic ways of constructing coarse-grained representations for complex systems. It explains how this approach can be used in the simulation and modeling of condensed phase and biomolecular systems. Assembling some of the most influential, world-renowned researchers in the field, this book covers the latest developments in the coarse-grained molecular dynamics simulation and modeling of condensed phase and biomolecular systems. Each chapter focuses on specific examples of evolving coarse-graining methodologies and presents results for a variety of complex systems. The contributors discuss the minimalist, inversion, and multiscale approaches to coarse-graining, along with the emerging challenges of coarse-graining. They also connect atomic-level information with new coarse-grained representations of complex systems, such as lipid bilayers, proteins, peptides, and DNA.
Book Synopsis Molecular Studies of COVID-19 Chemistry by : Emilia Pedone
Download or read book Molecular Studies of COVID-19 Chemistry written by Emilia Pedone and published by Frontiers Media SA. This book was released on 2021-10-20 with total page 251 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Lipid Domains written by and published by Academic Press. This book was released on 2015-06-08 with total page 393 pages. Available in PDF, EPUB and Kindle. Book excerpt: Current Topics in Membranes is targeted toward scientists and researchers in biochemistry and molecular and cellular biology, providing the necessary membrane research to assist them in discovering the current state of a particular field and in learning where that field is heading. This volume offers an up to date presentation of current knowledge in the field of Lipid Domains. - Written by leading experts - Contains original material, both textual and illustrative, that should become a very relevant reference material - The material is presented in a very comprehensive manner - Both researchers in the field and general readers should find relevant and up-to-date information
