Titlebook: Computer-Aided Drug Discovery; Wei Zhang Book 2016 Springer Science+Business Media New York 2016 Computational technologies.Structure pred

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Computer-Aided Drug Discovery978-1-4939-3521-5Series ISSN 1557-2153 Series E-ISSN 1940-6053

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ARBOR

Pharmacophore Modeling: Methods and Applications,iew provides an introduction into the basic concepts and approaches of pharmacophore-based drug design using a practical example. Recently developed approaches and tools for utilizing pharmacophores are also reviewed.

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潔凈

Canary

Mathematics Education in the Digital Eratal detection of binding interfaces can provide a wealth of information, but is time consuming and sometimes inaccurate. Computational methods can validate and complement experimental studies in a cost-efficient way. In this chapter we present a short survey of computational methods that have been s

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opprobrious

Gourmet

A Review of Evolutionary Algorithms for Computing Functional Conformations of Protein Molecules,amics and Monte Carlo. The focus of this review is on a third emerging template, stochastic optimization under the umbrella of evolutionary computation. Algorithms based on such a template, also known as evolutionary algorithms, are showing promise in addressing fundamental computational challenges

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Understanding Water and Its Many Roles in Biological Structure: Ways to Exploit a Resource for Drugcomplexes, modeling ionization state ensembles in complex environments, enumerating putative small-molecule tautomers in complexes, and predicting the location of important bridging waters are provided. These factors are summarized in terms of their potential effects on drug discovery projects.