Rational Drug Design - nouveau livre
ISBN: 9781461214809
Drug research and discovery are of critical importance in human health care. Computational approaches for drug lead discovery and optimization have proven successful in many recent resear… Plus…
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Rational Drug Design - nouveau livre
ISBN: 9781461214809
Mathematics; Numerical Analysis; Mathematical and Computational Biology algorithms, drug, drug research, dynamics, lead, research Books eBook, Springer Science+Business Media
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Rational Drug Design - nouveau livre
ISBN: 9781461214809
Mathematics; Numerical Analysis; Mathematical and Computational Biology algorithms, drug, drug research, dynamics, lead, research Books eBook, Springer Nature
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Rational Drug Design - nouveau livre
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Rational Drug Design - nouveau livre
2012, ISBN: 9781461214809
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Rational Drug Design - nouveau livre
ISBN: 9781461214809
Drug research and discovery are of critical importance in human health care. Computational approaches for drug lead discovery and optimization have proven successful in many recent resear… Plus…
Donald G. Truhlar; W. Jeffrey Howe; Anthony J. Hopfinger; Jeff Blaney; Richard E. Dammkoehler:
Rational Drug Design - nouveau livreISBN: 9781461214809
Mathematics; Numerical Analysis; Mathematical and Computational Biology algorithms, drug, drug research, dynamics, lead, research Books eBook, Springer Science+Business Media
Rational Drug Design - nouveau livre
ISBN: 9781461214809
Mathematics; Numerical Analysis; Mathematical and Computational Biology algorithms, drug, drug research, dynamics, lead, research Books eBook, Springer Nature
Rational Drug Design - nouveau livre
2012, ISBN: 9781461214809
eBooks, eBook Download (PDF), [PU: Springer New York], Springer New York, 2012
Rational Drug Design - nouveau livre
2012, ISBN: 9781461214809
eBook Download (PDF), eBooks, [PU: Springer New York]
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Informations détaillées sur le livre - Rational Drug Design
EAN (ISBN-13): 9781461214809
Date de parution: 2012
Editeur: Springer New York
Livre dans la base de données depuis 2017-05-23T00:22:35+02:00 (Paris)
Page de détail modifiée en dernier sur 2023-03-06T16:57:34+01:00 (Paris)
ISBN/EAN: 9781461214809
ISBN - Autres types d'écriture:
978-1-4612-1480-9
Autres types d'écriture et termes associés:
Auteur du livre: richard anthony, truhlar, jeffrey howe
Titre du livre: rational design
Données de l'éditeur
Auteur: Donald G. Truhlar; W. Jeffrey Howe; Anthony J. Hopfinger; Jeff Blaney; Richard E. Dammkoehler
Titre: The IMA Volumes in Mathematics and its Applications; Rational Drug Design
Editeur: Springer; Springer US
213 Pages
Date de parution: 2012-12-06
New York; NY; US
Langue: Anglais
96,29 € (DE)
99,00 € (AT)
118,00 CHF (CH)
Available
XII, 213 p.
EA; E107; eBook; Nonbooks, PBS / Mathematik/Wahrscheinlichkeitstheorie, Stochastik, Mathematische Statistik; Numerische Mathematik; Verstehen; algorithms; drug; drug research; dynamics; lead; research; C; Numerical Analysis; Mathematical and Computational Biology; Mathematics and Statistics; DV-gestützte Biologie/Bioinformatik; BC
Panel Discussions.- Important current problems in drug design that may be computationally tractable.- New problems that should be addressed in the next ten years.- Molecular Properties.- Matching of chemical and biological structures using subgraph and maximal common subgraph isomorphism algorithms.- Molecular similarity.- Modeling the effect of solvation on structure, reactivity, and partitioning of organic solutes: Utility in drug design.- Cell-based methods for sampling in high-dimensional spaces.- A preliminary multiobjective analysis of the chemotherapeutic benefits of hairpin-linked polyamides.- Receptor-Based Modeling.- Using structural information for the creative design of molecules.- GrowMol, a de novo computer program, and its application to thermolysin and pepsin: Results of the design and synthesis of a novel inhibitor.- Deducing objective site models by mixed integer programming.- Numerical Methods.- Molecular dynamics information extraction.- Ionic charging free energies using Ewald summation.- Genetic function approximation: Evolutionary construction of novel, interpretable, nonlinear models of experimental data.- Applications of distributed computing to conformational searches.Drug research and discovery are of critical importance in human health care. Computational approaches for drug lead discovery and optimization have proven successful in many recent research programs. These methods have grown in their effectiveness not only because of improved understanding of the basic science, but also because of advances in algorithms, representations, and mathematical procedures for studying such processes. This volume surveys some of those advances. A broad landscape of high-profile topics in computer- assisted molecular design (CAMD) directed to drug design are included.
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