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Hugo Kubinyi Molecular Drug Properties


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.

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Hugo Kubinyi Voltage-Gated Ion Channels as Drug Targets


Edited by the most prominent person in the field and top researchers at US pharmaceutical companies, this is a unique resource for drug developers and physiologists seeking a molecular-level understanding of ion channel pharmacology. After an introduction to the topic, the authors evaluate the structure and function of ion channels, as well as related drug interaction. A section on assay technologies is followed by a section each on calcium, sodium and potassium channels. Further chapters cover genetic and acquired channelopathies, before the book closes with a look at safety issues in ion channel drug development. For medicinal and pharmaceutical chemists, biochemists, molecular biologists and those working in the pharmaceutical industry.

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Hugo Kubinyi Molecular Biology in Medicinal Chemistry


This readily comprehensible book explains the identification of molecular targets via cellular assays, reporter genes or transgenic models, as well as surveying recent advances in the synthesis, separation and analysis of drugs. A special section is devoted to molecular genetics methods. With its examination of these novel methods and generous practical advice, this is essential reading for all pharmaceutical chemists, molecular biologists and medical researchers using molecular methods to study drugs and their action.

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Hugo Kubinyi Nuclear Receptors as Drug Targets


Edited by two experts working at the pioneering pharmaceutical company and major global player in hormone-derived drugs, this handbook and reference systematically treats the drug development aspects of all human nuclear receptors, including recently characterized receptors such as PPAR, FXR and LXR. Authors from leading pharmaceutical companies around the world present examples and real-life data from their own work.

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Hugo Kubinyi Molecular Modeling


Written by experienced experts in molecular modeling, this books describes the basics to the extent that is necessary if one wants to be able to reliably judge the results from molecular modeling calculations. Its main objective is the description of the various pitfalls to be avoided. Without unnecessary overhead it leads the reader from simple calculations on small molecules to the modeling of proteins and other relevant biomolecules. A textbook for beginners as well as an invaluable reference for all those dealing with molecular modeling in their daily work!

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Группа авторов Molecular Pathology in Drug Discovery and Development


Covers powerful new tools for drug development Molecular pathology offers tools and techniques that can greatly enhance the drug discovery and development process, helping to make the promises of personalized medicine a reality. Molecular Pathology in Drug Discovery and Development provides an unmatched guide to this cutting-edge discipline and its applications to pharmaceutical science. With contributions from leading lights in drug discovery, drug development, and molecular pathology balanced by a consistent editorial approach, this reference offers both an overview of molecular pathology and a close look at the methods as they are applied to the process of drug discovery and development. Presented as steps in the drug development process, the coverage includes the use of molecular pathology to: Identify and validate new drug candidates Enhance transcriptional profiling to better find and validate biomarkers Assess toxicology Employ toxicogenomics to identify genes relevant to the safety of compounds Identify correct doses for different drugs Identify patients for treatment Develop molecular therapies Further the new techniques of Immunohistochemistry and Immunofluorescence With many tests and treatments already working today, drug research and development using molecular pathology has shown itself an extremely fruitful area. Molecular Pathology in Drug Discovery and Development gives practitioners an up-to-date resource on this highly active discipline and its role in furthering pharmaceutical research.

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Hugo Kubinyi Transporters as Drug Carriers


This reference handbook is the first to provide a comprehensive overview, systematically characterizing all known transporters involved in drug elimination and resistance. Combining recent knowledge on all known classes of drug carriers, from microbes to man, it begins with a look at human and mammalian transporters. This is followed by microbial, fungal and parasitic transporters with special attention given to transport across those physiological barriers relevant for drug uptake, distribution and excretion. As a result, this key resource lays the foundations for understanding and investigating the molecular mechanisms for multidrug resistance in cancer cells, microbial resistance to antibiotics and pharmacokinetics in general. For anyone working with antibiotics and cancer chemotherapeutics, as well as being of prime interest to biochemists and biophysicists.

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Hugo Kubinyi Fragment-based Approaches in Drug Discovery


This first systematic summary of the impact of fragment-based approaches on the drug development process provides essential information that was previously unavailable. Adopting a practice-oriented approach, this represents a book by professionals for professionals, tailor-made for drug developers in the pharma and biotech sector who need to keep up-to-date on the latest technologies and strategies in pharmaceutical ligand design. The book is clearly divided into three sections on ligand design, spectroscopic techniques, and screening and drug discovery, backed by numerous case studies.

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Whitehouse David Molecular and Cellular Therapeutics


Molecular and Cellular Therapeutics aims to bring together key developments in the areas of molecular diagnostics, therapeutics and drug discovery. The book covers topics including diagnostics, therapeutics, model systems, clinical trials and drug discovery. The developing approaches to molecular and cellular therapies, diagnostics and drug discovery are presented in the context of the pathologies they are devised to treat.

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Hugo Kubinyi Lipophilicity in Drug Action and Toxicology


In keeping with the outstanding importance of lipophilicity in biosciences, this volume examines all its facets in more than twenty contributions from leading experts. It offers a thorough and highly topical survey of this rapidly developing field of research. Color plates demonstrating structural aspects, a vast number of references, and the straightforward presentation of the material make this volume a invaluable tool for all researchers involved in drug design or in the investigation of drug action.

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Hugo Kubinyi – Wikipedia

Ab 1985 war er bei der BASF, bei der er 2001 pensioniert wurde. Ab 1987 war er dort für das Wirkstoffdesign, Molecular Modelling und Röntgenkristallographie von Proteinen zuständig und ab 1998 auch für Kombinatorische Chemie in den Biowissenschaften. Er forschte besonders über QSAR -Methoden und Struktur-Wirkungsbeziehungen.

Molecular Design: Concepts and Applications: Amazon.de ...

Molecular Design: Concepts and Applications | Schneider, Gisbert, Baringhaus, Karl-Heinz, Kubinyi, Hugo | ISBN: 9783527314324 | Kostenloser Versand für alle Bücher ...

Molecular Biology in Medicinal Chemistry Methods and ...

Molecular Biology in Medicinal Chemistry (Methods and Principles in Medicinal Chemistry, Band 21) | Theodor Dingermann, Dieter Steinhilber, Gerd Folkers, Raimund Mannhold, Hugo Kubinyi | ISBN: 9783527304318 | Kostenloser Versand für alle Bücher mit Versand und Verkauf duch Amazon.

80th Birthday: Hugo Kubinyi :: ChemViews Magazine ...

Hugo Kubinyi, formerly at BASF SE, Ludwigshafen, Germany, and the University of Heidelberg, Germany, celebrates his 80th birthday on July 27, 2020. He is well-known for his work on drug design, molecular modeling, and quantitative structure–activity relationship (QSAR) models. Hugo Kubinyistudied chemistry in Vienna, Austria.

Kubinyi, Hugo [WorldCat Identities]

3D QSAR in drug design by Hugo Kubinyi ( ) 20 editions published ... Volume 2 (Ligand-Protein Interactions and Molecular Similarity) divides into three sections dealing with Ligand-Protein Interactions, Quantum Chemical Models and Molecular Dynamics Simulations, and Pharmacophore Modelling and Molecular Similarity, respectively. Volume 3 (Recent Advances) is also divided into three sections ...

Handbook of Molecular Descriptors

Hugo Kubinyi, Ludwigshafen Hendrik Timmerman, Amsterdam . This Page Intentionally Left Blank. Contents Introduction XI User’s Guide XV Notations and Symbols XVII Acronyms XIX A-Z 1 Greek Alphabet Entries 511 Numerical Entries 513 Appendix A. Greek Alphabet 515 Appendix B. Symbols of Molecular Descriptors 516 Appendix C. Software 521 References 524 . This Page Intentionally Left Blank ...

Kubinyi, Hugo [WorldCat Identities]

Kubinyi, Hugo . Overview. Works: 119 works in 314 publications in 2 languages and 6,964 library holdings Genres: Periodicals Roles: Editor, Author, Contributor, htt, Collector, Other, Opponent: Classifications: RS403, 615.19: Publication Timeline. Most widely held works by Hugo Kubinyi 3D QSAR in drug design by Hugo Kubinyi ( ) 20 editions published between 1998 and 2011 in English and held by ...

Hugo Kubinyi - Home

Hugo Kubinyi. Search for Hugo Kubinyi's work. Search Search. Home Hugo Kubinyi. Hugo Kubinyi. Skip slideshow. Most frequent co-Author ...

3D QSAR in drug design [electronic resource] : Kubinyi ...

3D QSAR in Drug Design: Ligand-Protein Interactions and Molecular Similarity Author: Hugo Kubinyi, Gerd Folkers, Yvonne C. Martin Published by Springer Netherlands ISBN: 978-0-7923-4790-3 DOI: 10.1007/0-306-46857-3 Table of Contents: Progress in Force-Field Calculations of Molecular Interaction Fields and Intermolecular Interactions Comparative Binding Energy Analysis Receptor-Based Prediction ...

Molecular Modeling

Hugo Kubinyi QSAR: Hansch Analysis and Related Approaches Volume 2 Han van de Waterbeemd (ed.) Chem ome tr ic Me tho ds in A40 lecu la r Design Volume 3 Han van de Waterbeemd (ed.) Advanced Computer-Assisted Techniques in Drug Discovery Volume 4 Vladimir PliSka, Bernard Testa, Han van de Waterbeemd (eds.) Lipophilicity in Drug Action and Toxicology Volume 5 Hans-Dieter Holtje, Gerd Folkers ...

Free Wilson Analysis. Theory, Applications and its ...

Hugo Kubinyi, Quantitative structure-activity relationships (QSAR) and molecular modelling in cancer research, Journal of Cancer Research and Clinical Oncology, 10.1007/BF01637071, 116, 6, (529-537), (1990).

Hugo Kubinyi

Hugo Kubinyi, www.kubinyi.de T. U. Mayer et al., Science 286, 971-974 (1999) Discovery of Monastrol, a Small Molecule Inhibitor of Mitotic Spindle Bipolarity Control cells (A, B) and Monastrol-treated cells (C, D).

Molecular Drug Properties von Raimund Mannhold, Hugo ...

Molecular Drug Properties von: Raimund Mannhold, Hugo Kubinyi, Gerd Folkers. Wiley-VCH, 2008 ISBN: 9783527621293 , 502 Seiten Format: PDF Kopierschutz: DRM Preis: 210,99 EUR Exemplaranzahl: Preisstaffel. Für Firmen: Nutzung über Internet und Intranet (ab 2 Exemplaren) freigegeben Derzeit können über den Shop maximal 500 Exemplare bestellt werden. Benötigen Sie mehr Exemplare, nehmen Sie ...

Molecular Biology in Medicinal Chemistry: Dingermann ...

Molecular Biology and Genetic Engineering have made a great impact on the methods and strategies of modern pharmaceutical and medicinal chemistry, transforming virtually every step in the drug development process, from target finding to drug design and ADMET analysis. Even the synthesis and manufacture of pharmaceutically active compounds has benefited from novel approaches based on molecular ...

Quantum Medicinal Chemistry (Methods and Principles in ...

Paolo Carloni Frank Alber Raimund Mannhold Hugo Kubinyi Gerd Folkers. Computational methods are transforming the work of chemical and pharmaceutical laboratories. Increasingly faster and more exact simulation algorithms have made quantum chemistry a valuable tool in the search for active substances.Written by a team of leading international quantum chemists, this book is aimed at both ...

Evolutionary Algorithms in Molecular Design by David E ...

Evolutionary Algorithms in Molecular Design - Ebook written by David E. Clark, Raimund Mannhold, Hugo Kubinyi, Hendrik Timmerman. Read this book using Google Play Books app on your PC, android, iOS devices. Download for offline reading, highlight, bookmark or take notes while you read Evolutionary Algorithms in Molecular Design.

Hugo Kubinyi - de.LinkFang.org

Hugo Kubinyi (* 1940 in Wien) ist ein österreichischer Chemiker (Pharmazeutische Chemie, Wirkstoffdesign). ... Molecular Modelling und Röntgenkristallographie von Proteinen zuständig und ab 1998 auch für Kombinatorische Chemie in den Biowissenschaften. Er forschte besonders über QSAR-Methoden und Struktur-Wirkungsbeziehungen. Er erhielt mit Hans-Joachim Böhm und Gerhard Klebe den ...

Hugo Kubinyi скачать бесплатно все книги в txt, pdf, DjVu ...

Hugo Kubinyi скачать бесплатно все книги в txt, pdf, DjVu, rtf или читать онлайн в электронной библиотеке КучаКниг.

3D QSAR in Drug Design - Recent Advances | Hugo Kubinyi ...

Significant progress has been made in the study of three-dimensional quantitative structure-activity relationships (3D QSAR) since the first publication by Richard Cramer in 1988 and the first volume in the series, 3D QSAR in Drug Design. Theory, Methods and Applications, published in 1993. The aim

Molecular Modeling: Basic Principles and Applications by ...

Molecular Modeling: Basic Principles and Applications - Ebook written by Hans-Dieter Höltje, Gerd Folkers, Raimund Mannhold, Hugo Kubinyi, Hendrik Timmerman. Read this book using Google Play Books app on your PC, android, iOS devices. Download for offline reading, highlight, bookmark or take notes while you read Molecular Modeling: Basic Principles and Applications.

Combinatorial and computational approaches in ... - kubinyi.de

16 Current Opinion in Drug Discovery and Development 1998 Vol 1 No 1 Combinatorial and computational approaches in structure-based drug design Hugo Kubinyi Address Combinatorial Chemistry and Molecular Modelling ZHF/G - A30

Theodor Dingermann – Wikipedia

Juli 1948 in Kevelaer) ist ein deutscher Pharmazeut. Er war von 1990 bis 2013 Professor für Pharmazeutische Biologie an der Johann Wolfgang Goethe-Universität Frankfurt am Main. Seine Fachgebiete sind Biochemie und Molekularbiologie.

HUGO KUBINYI PDF - Spring Art

Hugo Kubinyi Books – Biography and List of Works – Author of ‘3d Qsar In Drug Design’ In this handy source of information for Recent progress in high-throughput screening, combinatorial chemistry and molecular biology has radically changed the approach to drug discovery in the pharmaceutical industry.

Scaffold Hopping in Medicinal Chemistry | Nathan Brown ...

Nathan Brown, Raimund Mannhold, Hugo Kubinyi, Gerd Folkers. This first systematic treatment of the concept and practice of scaffold hopping shows the tricks of the trade and provides invaluable guidance for the reader's own projects. The first section serves as an introduction to the topic by describing the concept of scaffolds, their discovery, diversity and representation, and their ...

QSAR: Hansch Analysis and Related Approaches

molecular design, Hansch analysis and related approaches are continuously useful tools to quantitatively derive and prove hypotheses on structure-activity relation- ships. In addition, the quantitative treatise of kinetic aspects of drug action remains an exclusive domain of these methods. According to the aim of this new series Hugo Kubinyi gives a practice-oriented introduction into Hansch ...

3D QSAR in Drug Design: Volume 2: Ligand-Protein ...

Home Hugo Kubinyi (Editor), Gerd Folkers (Editor), Yvonne C. Martin ... Volume 2: Ligand-Protein Interactions and Molecular Similarity (Three-Dimensional Quantitative Structure Activity Relationships) Hugo Kubinyi (Editor), Gerd Folkers (Editor), Yvonne C. Martin (Editor) Verlag: Springer, 1998. ISBN 10: 0792347900 / ISBN 13: 9780792347903. Neu / Hardcover / Anzahl: 0. Verkäufer Ergodebooks ...

Molecular Drug Properties : Hugo Kubinyi : 9783527317554

Molecular Drug Properties por Hugo Kubinyi, 9783527317554, disponible en Book Depository con envío gratis.

HUGO KUBINYI PDF - I Cool PDF

Böcker av Hugo Kubinyi. During a stay with H. Pharmacophore Modelling and Molecular Similarity. Comparative Binding Energy Analysis; R. The two editors f Planetary Atmospheric Electricity Francois Leblanc. The vast progress made in the investigation of biomolecules using NMR has only recently been rewarded kubinyk the Nobel Prize for Kurt W ...

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Microwaves in Organic and Medicinal Chemistry von: C. Oliver Kappe, Alexander Stadler, Doris Dallinger, Raimund Mannhold, Hugo Kubinyi, Gerd Folkers

Molecular Descriptors for Chemoinformatics: Volume I ...

Roberto Todeschini, Viviana Consonni, Raimund Mannhold (Series Editor), Hugo Kubinyi (Series Editor), Gerd Folkers (Series Editor) ISBN: 978-3-527-31852-0 July 2009 1257 Pages. E-Book. Starting at just £328.99 . Print. Starting at just £365.00. O-Book E-Book. £328.99. Hardcover. Out of stock. £365.00. O-Book. View on Wiley Online Library. Download Product Flyer Download Product Flyer ...

3D QSAR in Drug Design - Volume 2: Ligand-Protein ...

Herausgeber: Kubinyi, Hugo, Folkers, Gerd, Martin, Yvonne C. (Eds.) Dieses Buch kaufen Sonderbindung 316,72 ... Quantum Chemical Models and Molecular Dynamics Simulations, and Pharmacophore Modelling and Molecular Similarity, respectively. Volume 3 (Recent Advances) is also divided into three sections, namely 3D QSAR Methodology: CoMFA and Related Approaches, Receptor Models and Other 3D QSAR ...

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Handbook of Molecular Descriptors von: Roberto Todeschini , Viviana Consonni , Raimund Mannhold , Hugo Kubinyi , Hendrik Timmerman Verlag:

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Molecular Drug Properties - ISBN: 9783527621293 - (ebook) - von Raimund Mannhold, Hugo Kubinyi, Gerd Folkers, Verlag: Wiley-VCH

3D QSAR in Drug Design : Hugo Kubinyi : 9780792347903

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Microwaves in Organic and Medicinal Chemistry von: C. Oliver Kappe, Alexander Stadler, Doris Dallinger, Raimund Mannhold, Hugo Kubinyi, Gerd Folkers

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Microwaves in Organic and Medicinal Chemistry von: C. Oliver Kappe, Alexander Stadler, Doris Dallinger, Raimund Mannhold, Hugo Kubinyi, Gerd Folkers

Protein-ligand Interactions: From Molecular Recognition to ...

Hans-Joachim Bohm, Gisbert Schneider, Raimund Mannhold, Hugo Kubinyi, Gerd Folkers. The lock-and-key principle formulated by Emil Fischer as early as the end of the 19th century has still not lost any of its significance for the life sciences. The basic aspects of ligand-protein interaction may be summarized under the term 'molecular recognition' and concern the specificity as well as ...

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Kubinyi, Hugo; Treffer 1 - 20 von 45. Treffer pro Seite. Sortieren. 1 . Online-Ressource. Prodrugs: Challenges and Rewards. Parts 1 and 2. Edited by Valentino J. Stella, Ronald T. Borchardt, Michael J. Hageman, Reza Oliyai, Hans Maag, and Jefferson W. Tilley. von Kubinyi, Hugo Veröffentlicht in ChemMedChem (2008) Regalstandort: Wird geladen ... Standort: Wird geladen ... Zusatzinformationen ...

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Microwaves in Organic and Medicinal Chemistry von: C. Oliver Kappe, Alexander Stadler, Doris Dallinger, Raimund Mannhold, Hugo Kubinyi, Gerd Folkers

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High-Throughput Screening in Drug Discovery (Methods and ...

Jörg Hüser (Editor), Raimund Mannhold, Hugo Kubinyi, Gerd Folkers (Series Editors) Content: The basic principles of GRID / Peter Goodford -- Calculation and application of molecular interaction fields / Rebecca C. Wade -- Protein selectivity studies using GRID-MIFs / Thomas Fox -- FLAP: 4-point pharmacophore fingerprints from GRID / Francesca Perrucio ... [et al.] -- The complexity of ...

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Microwaves in Organic and Medicinal Chemistry von: C. Oliver Kappe, Alexander Stadler, Doris Dallinger, Raimund Mannhold, Hugo Kubinyi, Gerd Folkers

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Microwaves in Organic and Medicinal Chemistry von: C. Oliver Kappe, Alexander Stadler, Doris Dallinger, Raimund Mannhold, Hugo Kubinyi, Gerd Folkers

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Microwaves in Organic and Medicinal Chemistry von: C. Oliver Kappe, Alexander Stadler, Doris Dallinger, Raimund Mannhold, Hugo Kubinyi, Gerd Folkers

Hugo Kubinyi Protein-Ligand Interactions


The lock-and-key principle formulated by Emil Fischer as early as the end of the 19th century has still not lost any of its significance for the life sciences. The basic aspects of ligand-protein interaction may be summarized under the term 'molecular recognition' and concern the specificity as well as stability of ligand binding. Molecular recognition is thus a central topic in the development of active substances, since stability and specificity determine whether a substance can be used as a drug. Nowadays, computer-aided prediction and intelligent molecular design make a large contribution to the constant search for, e. g., improved enzyme inhibitors, and new concepts such as that of pharmacophores are being developed. An up-to-date presentation of an eternally young topic, this book is an indispensable information source for chemists, biochemists and pharmacologists dealing with the binding of ligands to proteins.

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Hugo Kubinyi Antitargets


This practice-oriented handbook surveys current knowledge on the prediction and prevention of adverse drug reactions related to off-target activity of small molecule drugs. It is unique in collating the current approaches into a single source, and includes several highly instructive case studies that may be used as guidelines on how to improve drug development projects. With its large section on ADME-related effects, this is key knowledge for every drug developer.

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Patrick Norman Principles and Practices of Molecular Properties


A comprehensive yet accessible exploration of quantum chemical methods for the determination of molecular properties of spectroscopic relevance Molecular properties can be probed both through experiment and simulation. This book bridges these two worlds, connecting the experimentalist's macroscopic view of responses of the electromagnetic field to the theoretician’s microscopic description of the molecular responses. Comprehensive in scope, it also offers conceptual illustrations of molecular response theory by means of time-dependent simulations of simple systems. This important resource in physical chemistry offers: A journey in electrodynamics from the molecular microscopic perspective to the conventional macroscopic viewpoint The construction of Hamiltonians that are appropriate for the quantum mechanical description of molecular properties Time- and frequency-domain perspectives of light–matter interactions and molecular responses of both electrons and nuclei An introduction to approximate state response theory that serves as an everyday tool for computational chemists A unified presentation of prominent molecular properties Principles and Practices of Molecular Properties: Theory, Modeling and Simulations is written by noted experts in the field. It is a guide for graduate students, postdoctoral researchers and professionals in academia and industry alike, providing a set of keys to the research literature.

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Sandor Fliszar Atomic Charges, Bond Properties, and Molecular Energies


The first book to cover conceptual quantum chemistry, Atomic Charges, Bond Properties, and Molecular Energies deftly explores chemical bonds, their intrinsic energies, and the corresponding dissociation energies, which are relevant in reactivity problems. This unique first-hand, self-contained presentation develops relatively uncomplicated but physically meaningful approaches to molecular properties by providing derivations of all the required formulas from scratch, developed in Professor Fliszar's laboratory. This book is vitally relevant to organic- and biochemists, molecular biologists, materials scientists, and nanoscientists.

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Hugo Kubinyi Molecular Interaction Fields


This unique reference source, edited by the world's most respected expert on molecular interaction field software, covers all relevant principles of the GRID force field and its applications in medicinal chemistry. Entire chapters on 3D-QSAR, pharmacophore searches, docking studies, metabolism predictions and protein selectivity studies, among others, offer a concise overview of this emerging field. As an added bonus, this handbook includes a CD-ROM with the latest commercial versions of the GRID program and related software.

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Hugo Kubinyi Chemoinformatics in Drug Discovery


This handbook provides the first-ever inside view of today's integrated approach to rational drug design. Chemoinformatics experts from large pharmaceutical companies, as well as from chemoinformatics service providers and from academia demonstrate what can be achieved today by harnessing the power of computational methods for the drug discovery process. With the user rather than the developer of chemoinformatics software in mind, this book describes the successful application of computational tools to real-life problems and presents solution strategies to commonly encountered problems. It shows how almost every step of the drug discovery pipeline can be optimized and accelerated by using chemoinformatics tools – from the management of compound databases to targeted combinatorial synthesis, virtual screening and efficient hit-to-lead transition. An invaluable resource for drug developers and medicinal chemists in academia and industry.

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Hugo Kubinyi Proteomics in Drug Research


From skillful handling of the wide range of technologies to successful applications in drug discovery – this handbook has all the information professional proteomics users need. Edited by experts working at one of the hot spots in European proteomic research, the numerous contributions by experts from the pharmaceutical industry and public proteomics consortia to provide the necessary perspective on current trends and developments in this exciting field. Following an introductory chapter, the book moves on to proteomic technologies, such as protein biochips, protein-protein interactions, and proteome analysis in situ. The section on applications includes bioinformatics, Alzheimer's disease, neuroproteomics, plasma and T-cell proteomics, differential phosphoproteome analysis and biomarkers, as well as pharmacogenomics. Invaluable reading for medicinal and pharmaceutical chemists, gene technologists, molecular biologists, and those working in the pharmaceutical industry.

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Hugo Kubinyi Handbook of Molecular Descriptors


Quantitative studies on structure-activity and structure-property relationships are powerful tools in directed drug research. In recent years, various strategies have been developed to characterize and classify structural patterns by means of molecular descriptors. It has become possible not only to assess diversities or similarities of structure databases, but molecular descriptors also facilitate the identification of potential bioactive molecules from the rapidly increasing number of compound libraries. They even allow for a controlled de-novo design of new lead structures. This is the most comprehensive collection of molecular descriptors and presents a detailed review from the origins of this research field up to present day. This practically oriented reference book gives a thorough overview of the different molecular descriptors representations and their corresponding molecular descriptors. All descriptors are listed with their definition, symbols and labels, formulas, some numerical examples, data and molecular graphs, while numerous figures and tables aid comprehension of the definitions. Cross-references throughout, a list of acronyms and notations allow easy access to the information needed to solve a specific research problem. Examples of descriptor calculations along with tables of descriptor values for a set of selected reference compounds and an up-to-date reference list add to the practical value of the book, making it an invaluable guide for all those dealing with bioactive molecules as well as for researchers.

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Группа авторов Computational Pharmaceutics


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.

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Sherrel Howard Drugs of Abuse. Pharmacology and Molecular Mechanisms


Drug abuse has been, and continues to be, a global societal issue with diverse sets of impacts. Drugs of Abuse: Pharmacology and Molecular Mechanisms introduces the basic principles of pharmacology and neuroscience of drug abuse. Understanding the chemistry of commonly abused drugs and their impact on brain function will provide students and researchers with a more profound understanding of the molecular basis of drug abuse and addiction. Drugs of Abuse: Pharmacology and Molecular Mechanisms opens with a brief history of drug use and abuse. Subsequent sections look at specific families of drugs, including stimulants, depressants, and hallucinogens among others, and explore how their chemical make-up interacts with brain function. The final chapter provides a brief overview of clinical substance abuse treatment. Providing a concise, accessible introductory overview of the topic, Drugs of Abuse: Pharmacology and Molecular Mechanisms will be a valuable resource for students, researchers, and others interested in how drugs interact with the brain. Introduces readers to the basic principles of neuroscience and pharmacology as related to drug use and abuse. Explores how the chemical make-up of drugs interact with the brain and can lead to addiction Includes coverage of a wide array of commonly abused families of drugs, including stimulants, depressants, hallucinogens, and others. Provides an essential introduction to the chemical and molecular underpinnings of drug use and abuse

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