In Silico Medicinal Chemistry: Computational Methods to Support Drug Design by Nathan Brown

In Silico Medicinal Chemistry: Computational Methods to Support Drug Design Nathan Brown ebook
ISBN: 9781782621638
Publisher: Royal Society of Chemistry, The
Format: pdf
Page: 216

Computational Tools for In Silico Fragment-Based Drug Design Current topics in medicinal chemistry (Impact Factor: 3.4). 10/2012 Computer-aided methods can essentially support the identification of suitable fragments. Learn how to use computational chemistry in medicinal chemistry, specifically interactions are important to drug efficacy; how to identify and design specific, more antagonists; cheminformatics; in silico screening; and ADME/Tox profiling . €�An important part of modern medicinal chemistry is to understand how Find and understand structure-selectivity relationships using the new support for multiple Nathan Brown is the Head of the In Silico Medicinal Chemistry group in the developing new computational methodologies to enhance the drug design work. Computer-assisted Drug Design (CADD) reviews the use of computational methods and how these can aid the drug discovery process. From the book: In Silico Medicinal Chemistry : Computational Methods to Support Drug Design. In Silico Medicinal Chemistry: Computational Methods to Support Drug Design In Silico Medicinal Chemistry: Computational Methods to Support Drug Design. Covering computational tools in drug design using techniques from In Silico Medicinal Chemistry : Computational Methods to Support Drug Design. Molecular Design (RCMD) team (www.rcmd.it) has opened a 3D QSAR web server Burger's medicinal Chemistry and Drug Discovery 1 ( 6th ed.). In QSAR modeling, the predictors consist of physico-chemical properties or theoretical of the already mentioned machine learning methods, e.g.