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3D QSAR in Drug Design : Ligand-Protein Interactions and Molecular Similarity - pocketboek

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[EAN: 9789048149346], Neubuch, [SC: 0.0], [PU: Springer Netherlands], CRYSTAL; ENERGY; MOLECULE; RESEARCH; STEROIDS, Druck auf Anfrage Neuware -Significant progress has been made in the s… Meer...

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3D QSAR in Drug Design Ligand-Protein Interactions and Molecular Similarity - pocketboek

2010, ISBN: 9048149347

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3D QSAR in Drug Design - pocketboek

2010, ISBN: 9789048149346

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3D QSAR in Drug Design

Volumes 2 and 3 of the 3D QSAR in Drug Design series aim to review the progress being made in CoMFA and other 3D QSAR approaches since the publication of the highly successful first volume about four years ago. 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, namely 3D QSAR Methodology: CoMFA and Related Approaches, Receptor Models and Other 3D QSAR Approaches, and 3D QSAR Applications. More than seventy distinguished scientists have contributed nearly forty reviews of their work and related research to these two volumes which are of outstanding quality and timeliness. These works present an up-to-date coverage of the latest developments in all fields of 3D QSAR.

Gedetalleerde informatie over het boek. - 3D QSAR in Drug Design


EAN (ISBN-13): 9789048149346
ISBN (ISBN-10): 9048149347
Gebonden uitgave
pocket book
Verschijningsjaar: 2010
Uitgever: Springer
428 Bladzijden
Gewicht: 0,721 kg
Taal: eng/Englisch

Boek bevindt zich in het datenbestand sinds 2010-11-07T11:28:08+01:00 (Amsterdam)
Detailpagina laatst gewijzigd op 2022-07-11T10:35:23+02:00 (Amsterdam)
ISBN/EAN: 9789048149346

ISBN - alternatieve schrijfwijzen:
90-481-4934-7, 978-90-481-4934-6


Gegevens van de uitgever

Auteur: Hugo Kubinyi; Gerd Folkers; Yvonne C. Martin
Titel: Three-Dimensional Quantitative Structure Activity Relationships; 3D QSAR in Drug Design - Ligand-Protein Interactions and Molecular Similarity
Uitgeverij: Springer; Springer Netherland
417 Bladzijden
Verschijningsjaar: 2010-12-07
Dordrecht; NL
Gedrukt / Gemaakt in
Gewicht: 1,116 kg
Taal: Engels
249,98 € (DE)
256,99 € (AT)
275,50 CHF (CH)
POD
IX, 417 p.

BC; Previously published in hardcover; Hardcover, Softcover / Chemie; Chemoinformatik; Verstehen; crystal; drug; energy; molecule; research; steroids; B; Computer Applications in Chemistry; Computational Chemistry; Chemistry and Materials Science; BB

Volume 2: Section 1: Ligand-Protein Interactions. Progress in Force Field Calculations of Molecular Interaction Fields and Intermolecular Interactions; T. Liljefors. Comparative Binding Energy Analysis; R.C. Wade, et al. Receptor-Based Prediction of Binding Affinities; T.I. Oprea, G.R. Marshall. A Priori Prediction of Ligand Affinity by Energy Minimization; M.K. Holloway. Rapid Estimation of Relative Binding Affinities of Enzyme Inhibitors; M.R. Reddy, et al. Binding Affinities and Non-Bonded Interaction Energies; R.M.A. Knegtel, P.D.J. Grootenhuis. Molecular Mechanics Calculations on Protein-Ligand Complexes; I.T. Weber, R.W. Harrison. Section 2: Quantum Chemical Models and Molecular Dynamics Simulations. Some Biological Applications of Semiempirical MO-Theory; B. Beck, T. Clark. Density-Functional Theory and Molecular Dynamics: A New Perspective for Simulations of Biological Systems; W. Andreoni. Density-Functional Theory Investigations of Enzyme-Substrate Interactions; P. Carloni, F. Alber. Molecular Dynamics Simulations: A Tool for Drug Design; D. Rognan. Section 3: Pharmacophore Modelling and Molecular Similarity. Bioisosterism and Molecular Diversity; R.D. Clark, et al. Similarity and Dissimilarity - A Medicinal Chemist's View; H. Kubinyi. Pharmacophore Modeling: Methods, Experimental Verification and Applications; A.K. Ghose, J.J. Wendoloski. The Use of Self-Organizing Neural Networks in Drug Design; S. Anzali, et al. Calculation of Structural Similarity by the Alignment of Molecular Electrostatic Potentials; D.A. Thorner, et al. Explicit Calculation of 3D Molecular Similarity; A.C. Good, W.G. Richards. Novel Software Tools for Chemical Similarity;R.S. Pearlman, K.M. Smith. New 3D Molecular Descriptors: The WHIM Theory and QSAR Applications; R. Todeschini, P. Gramatica. EVA &endash; A Novel Theoretical Descriptor for QSAR Studies; T.W. Heritage, et al. Volume 3: Section 1: 3D QSAR Methodology. CoMFA and Related Approaches. 3D QSAR: Current State, Scope, and Limitations; C. Martin. Recent Progress in CoMFA Methodology and Related Techniques; U. Norinder. Improving the Predictive Quality of CoMFA Models; T. Kroemer, et al. Cross-Validated R2 Guided Region Selection for CoMFA Studies; A. Tropsha, S.J. Cho. GOLPE-Guided Region Selection; G. Cruciani, et al. Comparative Molecular Similarity Indices Analysis - CoMSIA; G. Klebe. Alternative Partial Least Squares (PLS) Algorithms; F. Lindgren, S. Rännar. Section 2: Receptor Models and Other 3D QSAR Approaches. Receptor Surface Models; M. Hahn, D. Rogers. Pseudoreceptor Modeling in Drug Design: Applications of Yak and PrGen; M. Gurrath, et al. Genetically Evolved Receptor Models (GERM) as a 3D QSAR Tool; D.E. Walters. 3D QSAR of Flexible Molecules Using Tensor Representation; W.J. Dunn III, A.J. Hopfinger. Comparative Molecular Moment Analysis (CoMMA); B.D. Silverman, et al. Section 3: 3D QSAR Applications. The CoMFA Steroids as a Benchmark Data Set for Development of 3D QSAR Methods; E.A. Coats. Molecular Similarity Characterization Using CoMFA; T. Langer. Building a Bridge Between G-Protein-Coupled Receptor Modelling, Protein Crystallography, and 3D-QSAR Studies for Ligand Design; K.H. Kim. A Critical Review on Recent CoMFA Applications; K.H. Kim, et al. List of CoMFA References, 1993-1996; K. H. Kim.

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