'Scoring functions' diaporamas de présentation

Feature selection

Feature selection. LING 572 Fei Xia Week 4: 1/25/2011. Creating attribute-value table. Choose features: Define feature templates Instantiate the feature templates Dimensionality reduction: feature selection Feature weighting The weight for f k : the whole column

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Composition Alignment

Composition Alignment. Gary Benson Departments of Computer Science and Biology Boston University. Composition Alignment. Gary Bens z on Departments of Computer Science and Biology Boston University. Outline of Talk. Sequence composition and composition match

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Composition Alignment

Composition Alignment. Gary Benson Departments of Computer Science and Biology Boston University. Composition Alignment. Gary Bens z on Departments of Computer Science and Biology Boston University. Outline of Talk. Sequence composition and composition match

425 views • 33 slides

7. Molecular Docking and Drug Discovery

7. Molecular Docking and Drug Discovery. R. M. ChemDB RChemDB. Filters. Experiments. NM. The Docking Problem. Given : receptor binding pocket and ligand. Task : quickly find correct binding pose. Two critical modules: Search Algorithm Scoring Function. Definitions.

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Establishing a Successful Virtual Screening Process

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DockCrunch and Beyond... The future of receptor-based virtual screening

DockCrunch and Beyond... The future of receptor-based virtual screening. Bohdan Waszkowycz, Tim Perkins & Jin Li Protherics Molecular Design Ltd Macclesfield, UK. Outline. Structure-based virtual screening an achievable (and possibly useful) tool for drug discovery

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TeraGrid Science Gateways

TeraGrid Science Gateways. Nancy Wilkins-Diehr TeraGrid Area Director for Science Gateways wilkinsn@sdsc.edu. Has anyone heard about the gateway program?. Today I hope to answer What is the TeraGrid? What are gateways? Why are gateways worth the effort?

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DockCrunch and Beyond... The future of receptor-based virtual screening

DockCrunch and Beyond... The future of receptor-based virtual screening. Bohdan Waszkowycz, Tim Perkins & Jin Li Protherics Molecular Design Ltd Macclesfield, UK. Outline. Structure-based virtual screening an achievable (and possibly useful) tool for drug discovery

286 views • 28 slides

Know More Before You Score: An Analysis of Structure-Based Virtual Screening Protocols

Know More Before You Score: An Analysis of Structure-Based Virtual Screening Protocols. Structure-Based Virtual Screening (SBVS) is a proven technique for lead discovery Still many areas for improvement Efforts generally focussed on scoring function

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Joseph Jamal Rush III October 31,2009 Bioinformatics Mentor: Mr. Mondal , Claflin University

Evaluating Knowledge-based Scoring Evaluating Knowledge-based Scoring Function for Drug Discovery Case Study: DrugScore. Joseph Jamal Rush III October 31,2009 Bioinformatics Mentor: Mr. Mondal , Claflin University. Scoring Function.

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About BoostThreader

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Improving Statistical Significance Assignment in Mass Spectrometry Based Peptide Identification

Improving Statistical Significance Assignment in Mass Spectrometry Based Peptide Identification. Overview Statistical Significance in Peptide Identification Statistics through deNovo method Example New way to Combine Search Results. Yi-Kuo Yu

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Investigation of Binding Affinity of hIFN-gamma Mutated Forms with the Rosetta Suite of Programs

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Recommending Collaborators Using Keywords

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Personalizing XML Text Search in Piment

Personalizing XML Text Search in Piment. Sihem Amer-Yahia AT&T Labs Research - USA Irini Fundulaki Bell Labs - USA Prateek Jain IIT-Kanpur - India Laks Lakshmanan University of British Columbia - Canada VLDB 2005 demonstration. Motivation.

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Why multiple scoring functions can improve docking performance

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C ONCLUSIONS

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117 views • 1 slides