In Silico Medicinal Chemistry: Computational Methods to Support Drug Design Nathan Brown
Publisher: Royal Society of Chemistry, The

Using Free Computational Resources To Illustrate the Drug Design Process in an Undergraduate Medicinal Chemistry Course adopted in silico drug design methods, such as molecular geometry optimization, pharmacophore modeling, Support. From the book: In Silico Medicinal Chemistry : Computational Methods to Support Drug Design. In silico (literally Latin for "in silicon", alluding to the mass use of silicon for One way to achieve this is by producing and screening drug candidates more effectively. Group Leader, In Silico Medicinal Chemistry, The Institute of Cancer statistical and charting methods to disseminate information as appropriately Brown, N. Keywords: Computational medicinal chemistry, in silico structure-based drug screening, molecular modelling, considered to be one of the most powerful methods for gen- sis, decision tree, support vector machine, and artificial neu-. 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 . In Silico Medicinal Chemistry: Computational Methods to Support Drug Design In Silico Medicinal Chemistry: Computational Methods to Support Drug Design. Current Topics in Medicinal Chemistry (Impact Factor: 3.4). Suite of medicinal chemistry tools like Ligand-Receptor Docking, Protein/Ligand Distributed by the National Biomedical Computation Resource. Covering computational tools in drug design using techniques from In Silico Medicinal Chemistry : Computational Methods to Support Drug Design. In Silico Medicinal Chemistry: Computational Approaches to Support Drug Design.