By Zaheer Ul-Haq,Jeffry D. Madura
Frontiers in Computational Chemistry, initially released by way of Bentham and now allotted by means of Elsevier, provides the most recent learn findings and techniques within the assorted box of computational chemistry, concentrating on molecular modeling ideas utilized in drug discovery and the drug improvement approach. This contains computer-aided molecular layout, drug discovery and improvement, lead new release, lead optimization, database administration, computing device and molecular snap shots, and the advance of latest computational equipment or effective algorithms for the simulation of chemical phenomena together with analyses of organic job. In quantity 1, the top researchers within the box have accumulated 8 varied views within the software of computational tools in the direction of drug layout to supply an up to date rendering of the present box. This quantity covers a number of subject matters from G protein-coupled receptors, to using cheminformatics and bioinformatics, computational instruments resembling Molecular Mechanics Poisson-Boltzmann floor zone, protein-protein interactions, using computational tools on huge organic facts units, quite a few computational equipment used to spot pharmaceutically appropriate goals, and more.
- Brings jointly a variety of learn right into a unmarried assortment to assist researchers stay alongside of new methods
- Uniquely makes a speciality of computational chemistry methods which can speed up drug layout
- Makes a superior connection among test and computation and the unconventional program of computational tools within the fields of biology, chemistry, biochemistry, physics, and biophysics, with specific specialize in the mixing of computational tools with experimental data
Read or Download Frontiers in Computational Chemistry: Volume 1: Computer Applications for Drug Design and Biomolecular Systems PDF
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Extra info for Frontiers in Computational Chemistry: Volume 1: Computer Applications for Drug Design and Biomolecular Systems
Frontiers in Computational Chemistry: Volume 1: Computer Applications for Drug Design and Biomolecular Systems by Zaheer Ul-Haq,Jeffry D. Madura