Computational Methods Applied to Rational Drug Design
نویسندگان
چکیده
منابع مشابه
Computational Methods Applied to Rational Drug Design
Due to the synergic relationship between medical chemistry, bioinformatics and molecular simulation, the development of new accurate computational tools for small molecules drug design has been rising over the last years. The main result is the increased number of publications where computational techniques such as molecular docking, de novo design as well as virtual screening have been used to...
متن کاملProfessional rational drug and biological product design methods based on chemoinformatics as a novel science
Background: The use of new technologies in the field of drug discovery and development plays an important role in introducing new and effective drugs, optimizing the properties of existing drugs and, in general the development of various drug-dependent industries, as well as the general health of human, animal and plant communities. These methods provide new drugs at...
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This report documents the program and the outcomes of Dagstuhl Seminar 13212 “Computational Methods Aiding Early-Stage Drug Design”. The aim of the seminar was to bring scientists working on various aspects of drug discovery, genomic technologies and computational science (e.g., bioinformatics, chemoinformatics, machine learning, and statistics) together to explore how high dimensional data set...
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1.8. Summary of Research Plan This application for a grant is to cover research in a real-time hybrid anticipatory control system. If is based on both anticipatory computing and soft computing. Anticipatory computing is a new form of computation developed within the framework of the research financed by the DFG (cf. NA 196/5-1 and NA 196/5-2). An anticipatory system is defined as a system whose...
متن کاملRational drug design.
In this article, current knowledge of drug design is reviewed and an approach of rational drug design is presented. The process of drug development is challenging, expensive, and time consuming, although this process has been accelerated due to the development of computational tools and methodologies. The current target based drug design approach is incomplete because most of the drugs develope...
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ژورنال
عنوان ژورنال: The Open Medicinal Chemistry Journal
سال: 2016
ISSN: 1874-1045
DOI: 10.2174/1874104501610010007