Download e-book for iPad: Virtual Screening: Principles, Challenges, and Practical by Christoph Sotriffer

By Christoph Sotriffer

ISBN-10: 3527326367

ISBN-13: 9783527326365

Drug discovery is all approximately discovering small molecules that engage in a wanted method with higher molecules, specifically proteins and different macromolecules within the human physique. If the third-dimensional buildings of either the small and big molecule are recognized, their interplay could be proven through computing device simulation with an inexpensive measure of accuracy. on the other hand, if energetic ligands are already to be had, molecular similarity searches can be utilized to discover new molecules. This digital screening may also be utilized to compounds that experience but to be synthesized, rather than "real" screening that calls for fee- and labor-intensive laboratory checking out with formerly synthesized drug compounds.
certain in its concentrate on the tip person, this can be a actual "how to" booklet that doesn't presuppose previous event in digital screening or a background
in computational chemistry. it truly is either a laptop reference and functional advisor to digital screening functions in drug discovery, delivering a complete and updated assessment. basically divided into 4 significant sections, the 1st presents an in depth description of the equipment required for and utilized in digital screening, whereas the second one discusses crucial demanding situations as a way to enhance the impression and good fortune of this method. The 3rd and fourth, useful components include functional directions and a number of other case reviews overlaying the most
vital situations for brand new drug discovery, followed by way of normal instructions for the total workflow of digital screening studies.
during the textual content, medicinal chemists from academia, in addition to from huge and small pharmaceutical businesses document on their adventure and cross on necessary functional recommendation on how you can make most sensible use of those strong methods.

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Read or Download Virtual Screening: Principles, Challenges, and Practical Guidelines, Volume 48 (Methods and Principles in Medicinal Chemistry) PDF

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Virtual Screening: Principles, Challenges, and Practical Guidelines, Volume 48 (Methods and Principles in Medicinal Chemistry) by Christoph Sotriffer

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