'Virtual screening' presentation slideshows

Team India Consortium with Global Partnership

Team India Consortium with Global Partnership. A CSIR-led initiative for affordable healthcare to the developing world. Council of Scientific and Industrial Research INDIA. http://www.osdd.net.

506 views • 41 slides

George S. Cowan, Ph.D. Computer Aided Drug Discovery

Problems and Opportunities for Machine Learning in Drug Discovery (Can you find lessons for Systems Biology?). George S. Cowan, Ph.D. Computer Aided Drug Discovery Pfizer Global Research and Development, Ann Arbor Labs. CSSB, Rovereto, Italy. 19 April 2004.

559 views • 34 slides

ChemAxon 2005 User Group Meeting May 20th, Budapest, Hungary

I mproved V irtual S creening S trategies and E nrichment of F ocused L ibraries in A ctive C ompounds U sing T arget- O riented D atabases. ChemAxon 2005 User Group Meeting May 20th, Budapest, Hungary. Our Business.

412 views • 31 slides

V. Breton CNRS-IN2P3

France-Korea Particle Physics Laboratory: an International Associated Laboratory for e-science and particle physics. V. Breton CNRS-IN2P3. Table of content. What is a LIA ? Example: the FKPPL Introduction to grids Grid-enabled virtual screening: the example of WISDOM Conclusion.

471 views • 31 slides

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

411 views • 28 slides

Chemoinformatics tools for lead discovery

Chemoinformatics tools for lead discovery. Virtual screening. The huge numbers of molecules available in public and in-house databases means that there is a requirement for tools to rank compounds in order of decreasing probability of activity

385 views • 26 slides

Biosciences Working Group Update

Biosciences Working Group Update. Wilfred W. Li, Ph.D., UCSD, USA Habibah Wahab, Ph.D., USM, Malaysia Hosted by JLU Changchun, Jilin, PRC, Sept 13-15, 2010. Scientific Driver and Use Cases. Harris et al, PNAS, 2006. http://www.reactome.org/ http://www.wikipedia.org.

369 views • 25 slides

Gilbert Kalb

356 views • 23 slides

Virtual Screening at the post-genomic era Dr. Didier ROGNAN Bioinformatic Group UMR CNRS 7081

Virtual Screening at the post-genomic era Dr. Didier ROGNAN Bioinformatic Group UMR CNRS 7081 Illkirch, France didier.rognan@pharma.u-strasbg.fr. Virtual screening: Definition. Searching electronic databases (2D, 3D) for molecules fitting: a pharmacophore an active site.

330 views • 21 slides

299 views • 18 slides

Ligand-Based Structural Hypotheses for Virtual Screening

Ligand-Based Structural Hypotheses for Virtual Screening. Ajay N. Jain Uses the tool described in the pervious paper. Agenda.

310 views • 15 slides

Genome Research Institute University of Cincinnati

Genome Research Institute University of Cincinnati. Genome Research Institute. Housed in facility donated by Aventis Pharmaceuticals ~360,000 sq. ft. of office, laboratory and vivarium space Currently houses 38 PIs, ~350 total researchers. GRI Capabilities. Research Programs

299 views • 15 slides

Grid enabled in silico drug discovery

Grid enabled in silico drug discovery. BUI The Quang Prof. Vincent Breton Prof. Doman Kim Prof. NGUYEN Hong Quang Prof. PHAM Quoc Long. Laboratories involved. CNU, Gwangju , Korea IFI, Hanoi, Vietnam INPC, Hanoi, Vietnam KISTI, Seoul, Korea LPC, Clermont-Ferrand, France.

330 views • 15 slides

Virtual Screening for SHP-2 Specific Inhibitors Using Grid Computing

250 views • 11 slides

Cheminformatics as Predictive Science

Cheminformatics as Predictive Science. Alexander Tropsha Laboratory for Molecular Modeling School of Pharmacy and Carolina Center for Exploratory Cheminformatics Research UNC-Chapel Hill. Overview. Cheminformatics revolution

338 views • 9 slides

Future CAMD Workloads and their Implications for Computer System Design

166 views • 8 slides

pharmacophore

pharmacophore. Megon Walker Bioinformatics Program Boston University. prioritization of chemical libraries. high-throughput screening. Proceedings of the Fifteenth International Conference on Machine Learning, 1998:1-9. J. Chem Inf. Comput. Sci. 2003, 43: 667-673. compound datasets.

392 views • 7 slides

Introduction

68 views • 1 slides

Novel Inhibitors of Indoleamine 2,3-Dioxygenase (IDO), a Target for Anti-Cancer Immunotherapy

263 views • 1 slides

Name: Eric Chen High School: Canyon Crest Academy, San Diego, CA Mentor: Dr. Rommie Amaro

Name: Eric Chen High School: Canyon Crest Academy, San Diego, CA Mentor: Dr. Rommie Amaro Project Title: Discovery of Novel Influenza Endonuclease Inhibitors to Fight Flu Pandemic.

169 views • 1 slides