Titlebook: Bioinformatics and Drug Discovery; Richard S. Larson Book 2006 Humana Press 2006 In silico.Radiologieinformationssystem.bioinformatics.dev

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入伍儀式

Nuclear Magnetic Resonance-Based Screening Methods for Drug Discovery,e large difference in mass between drugs and receptors (usually proteins) and the effect that this has on the rotational or translational correlation times for drugs bound to their targets. Many NMR parameters, such as the diffusion coefficient, spin diffusion, nuclear Overhauser enhancement, and tr

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Receptor-Binding Sites,ntal of all biological mechanisms and lie at the conceptual heart of protein function. In particular, the protein-binding site is the most fascinating and important mechanistic arbiter of protein function. In this review, I examine the nature of protein-binding sites found in both ligand-binding rec

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, Protein Design,ools for the rational mutagenesis and functional modification of proteins. These approaches use analysis of the three-dimensional structure of a protein to guide the selection of appropriate amino acid sequences to create desired properties or functions. The convergence of low-cost, high-speed compu

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Bioinformatics Platform Development,ent of novel bioinformatics and experimental approaches to predict the functions and metabolic role of the new proteins. The main application of the work is to search, validate, and prioritize new targets for designing a new generation of drugs. Modern computer and experimental methods for discovery

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Chemical Database Preparation for Compound Acquisition or Virtual Screening,ve molecules. Both methods require the ability to aptly handle large numbers of chemicals prior to an experiment or acquisition. We describe a step-by-step preparation procedure for handling large collections of existing or virtual compounds prior to virtual screening or acquisition.

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