'Rational drug design' diaporamas de présentation

Setup of substance libraries for high thoughput screening (I)

Setup of substance libraries for high thoughput screening (I). automated test of >1000 compounds on the target. Requires the synthesis of the according number of substances and processing of the results. step: choice of target. Flow of information in a drug discovery pipeline.

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Prediction of molecular properties (I)

Prediction of molecular properties (I). The general question of rational drug design. How is the biological space (activity) of a compound connected to the chemical space (structure) ?. Is it possible to make predictions based on the molecular structure ?. ? QSAR and QSPR.

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Prediction of Tight Turns In Protein

Prediction of Tight Turns In Protein Protein Sequence + G.P.S. Raghava, Ph.D., F.N.A.Sc. Scientist and Head Bioinformatics Centre Institute of Microbial Technology, Sector-39 A, Chandigarh, India Email:raghava@imtech.res.in Web: http://www.imtech.res.in/raghava/ Structure

705 views • 36 slides

Protein Structure Prediction

Protein Structure Prediction. Protein Sequence +. Dr. G.P.S. Raghava. Structure. Protein Structure Prediction. Experimental Techniques X-ray Crystallography NMR Limitations of Current Experimental Techniques Protein DataBank (PDB) -> 23000 protein structures

967 views • 34 slides

Rational Drug Design : HIV Integrase

Rational Drug Design : HIV Integrase. A process for drug design which bases the design of the drug upon the structure of its protein target. Structural mapping of the receptor (protein, P) active site Identification of ligands (L) of complementary shape and appropriate functionality

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Protein Crystals In Space

Protein Crystals In Space. In Florida Schools. Protein Crystals in Space in Florida Schools. K-16 Outreach Grant Program. Sponsored by The Florida Space Grant Consortium. Principal Investigator Dr. Marianne Barnes The Univ. of North Florida. http://florida-protein-crystals-in-space.org.

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Prostaglandins: Synthesis, functions and inhibitors

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Chapter 2.3. Antipsychotics

Antipsychotics are dugs that ameliorate mental aberrations that are characterictic of the psychoses.

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Design of Small Molecule Drugs Targeted to RNA

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Modelling, comparison, and analysis of proteomes Ram Samudrala University of Washington

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Modelling Genome Structure and Function Ram Samudrala University of Washington

Modelling Genome Structure and Function Ram Samudrala University of Washington. Rationale for understanding protein structure and function. structure determination structure prediction. Protein structure - three dimensional - complicated - mediates function. homology

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Visualization supported by The Center for Computational Research

Visualization supported by The Center for Computational Research. Dr. Russ Miller, Director Professor of Computer Science & Engineering, UB Senior Research Scientist, Hauptman-Woodward Inst. www.ccr.buffalo.edu. CCR Computing (0.4Tflops). SGI Origin2000 128 Processors (250 MHz) 32 GB RAM

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Pharmaceuticals

Pharmaceuticals. Econ 737 4 /7/11. Outline. I. Introduction II. Research and development III. Regulation IV. Patents V. Pricing VI. Direct to consumer advertising. I. Introduction. Pharmaceuticals: mostly medicines and vaccines

339 views • 13 slides

Pharmaceuticals

Pharmaceuticals. Econ 737 11/11/10. Outline. I. Introduction II. Research and development III. Regulation IV. Patents V. Pricing VI. Direct to consumer advertising. I. Introduction. Pharmaceuticals: mostly medicines and vaccines

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Benefits of Human Genome Project Research

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Combinatorial computational method gives new picomolar ligands for a known enzyme

Combinatorial computational method gives new picomolar ligands for a known enzyme. Bartosz A. Grzybowski, Alexey V. Ishchenko, Chu-Young Kim, George Topalov, Robert Chapman, David W. Christianson, George M. Whitesides, and Eugene I. Shakhnovich. Outline.

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The Role of Experimentation in Individual and Team Innovation and Discovery

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DR.R.MEHER ALI, M.D. PROFESSOR OF CLINICAL PHARMACOLOGY MADRAS MEDICAL COLLEGE CHENNAI .

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Computer-aided drug design

BOC Sciences is a leading expert in medicinal chemistry and offers computer-aided drug discovery services for customers. https://www.bocsci.com/solutions/computational-chemistry.htm

142 views • 4 slides