Download e-book for iPad: Frontiers in Computational Chemistry: Volume 2: Computer by Zaheer Ul-Haq,Jeffry D. Madura

By Zaheer Ul-Haq,Jeffry D. Madura

ISBN-10: 1608059790

ISBN-13: 9781608059799

Frontiers in Computational Chemistry, initially released through Bentham and now dispensed by means of Elsevier, provides the most recent study findings and techniques within the assorted box of computational chemistry, targeting molecular modeling recommendations utilized in drug discovery and the drug improvement method. This contains computer-aided molecular layout, drug discovery and improvement, lead new release, lead optimization, database administration, machine and molecular images, and the advance of latest computational equipment or effective algorithms for the simulation of chemical phenomena together with analyses of organic task. In quantity 2, the authors proceed the compendium with 9 extra views within the program of computational equipment in the direction of drug layout. This quantity covers an array of topics from glossy advances that speed up new antibacterial peptide id, digital constitution tools that designate how singlet oxygen damages DNA, to QSAR version validation, the appliance of DFT and DFRT equipment on realizing the motion of nitrogen mustards, the layout of novel prodrugs utilizing molecular mechanics and molecular orbital tools, computational simulations of lipid bilayers, excessive throughput screening equipment, and more.

  • Brings jointly quite a lot of learn right into a unmarried assortment to assist researchers stay alongside of new methods
  • Uniquely specializes in computational chemistry ways which could speed up drug design
  • Makes a fantastic connection among test and computation, and the unconventional software of computational tools within the fields of biology, chemistry, biochemistry, physics, and biophysics

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Frontiers in Computational Chemistry: Volume 2: Computer Applications for Drug Design and Biomolecular Systems by Zaheer Ul-Haq,Jeffry D. Madura

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