Rational Drug Design
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Lieferzeit: 21 Werktage
- Artikel-Nr.: 10198077
Beschreibung
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.
Eigenschaften
Gewicht: | 498 g |
Höhe: | 235 |
Seiten: | 213 |
Sprachen: | Englisch |
Autor: | Anthony J. Hopfinger, Donald G. Truhlar, W. J. Howe |
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