Menu
- Home
- Research
- Publications
- Talks
- People
- Open Source
- Blog
- Machine Learning
- Cheminformatics
- Assorted scripts
For other Talks see Page 2. See below for Lectures...
Noel M O'Boyle, Geoffrey Hutchison. Large-scale computational design and selection of polymers for solar cells. Smart Surfaces 2012 - Solar and BioSensor Applications, Mar 6-9 2012, Dublin, Ireland. (Oral presentation [pptx])
Noel M O'Boyle, Geoffrey Hutchison. Solving the inverse design problem for polymer solar cells. 15th Nanoscale Simulators Ireland and Irish Atomistic Simulators Meeting, Jan 12-13 2012, Trinity College Dublin, Ireland. (Oral presentation - see above)
Attended 7th German Conference on Chemoinformatics, Nov 6-8, 2011, Goslar, Germany.
Noel M O'Boyle. Improving the quality of chemical databases with community-developed tools (and vice versa). 5th Meeting on US Government Chemical Databases and Open Chemistry, Aug 25-26 2011, Frederick (Maryland), US. (Oral presentation [pptx])
Noel M O'Boyle. Cinfony - Bringing cheminformatics toolkits into tune. Wellcome Trust Workshop on Molecular Informatics Open Source Software (MIOSS), May 4-6 2011, EMBL-EBI, Hinxton (outside Cambridge), UK. (Oral presentation [pptx])
Attended 13th BCA/CCG Intensive Teaching School in X-Ray Structure Analysis, Mar 26 - Apr 5 2011, Trevelyan College, Durham, UK.
Noel M O'Boyle. Protein-Ligand Docking. EMBL-EBI Hands-on training - Small Molecule Bioactivity Resources at the EBI, Feb 14-18 2011, EMBL-EBI, Hinxton (outside Cambridge), UK. (Oral presentation plus practical)
Noel M O'Boyle, et al. The Blue Obelisk community. Visions of a Semantic Molecular Future - A symposium to celebrate the career of Peter Murray-Rust, Jan 17 2011, Cambridge, UK. (Lightning talk [pptx] and poster [ppt])
Noel M O'Boyle, Casey M Campbell and Geoffrey R Hutchison. De novo design of molecular wires with optimal properties for solar energy conversion. 6th German Conference on Chemoinformatics, Nov 7-9 2010, Goslar, Germany. (Oral presentation [pptx])
Noel M O'Boyle, Tim Vandermeersch, Geoffrey R Hutchison. Confab - Systematic generation of diverse low-energy conformers. 6th German Conference on Chemoinformatics, Nov 7-9 2010, Goslar, Germany. (Poster presentation [ppt])
Noel M O'Boyle. Protein-Ligand Docking. EMBO Practical Course - Computational aspects of protein structure determination and analysis: from data to structure to function, Sept 6-10 2010, EMBL-EBI, Hinxton (outside Cambridge), UK. (Oral presentation [ppt])
Geoffrey R Hutchison, Casey M Campbell and Noel M O'Boyle. Computational Design and Selection of Optimal Organic Photovoltaics Materials: Finding Needles Through the Haystack. Gordon Research Conference on Electron Donor-Acceptor Interactions, Aug 8-13 2010, Newport (Rhode Island), US. (Poster presentation)
Noel M O'Boyle and Geoffrey R Hutchison. Cinfony - Combining disparate cheminformatics resources into a single toolkit. 239th ACS National Meeting, March 21-25 2010, San Francisco, US. (Oral presentation)
Geoffrey R Hutchison and Noel M O'Boyle. Organic electronic materials by design: Finding a needle through the haystack. 239th ACS National Meeting, March 21-25 2010, San Francisco, US. (Oral presentation)
Noel M O'Boyle. Protein-Ligand Docking. EMBL-EBI Hands-on training - Small Molecule Bioactivity Resources at the EBI, Jan 25-29 2010, EMBL-EBI, Hinxton (outside Cambridge), UK. (Oral presentation plus practical)
Noel M O'Boyle, John Liebeschuetz, Jason Cole. Why multiple scoring functions can improve docking performance - Testing hypotheses for rescoring success. Gordon Research Conference on Computer Aided Drug Design, July 19-24 2009, Tilton (New Hampshire), US. (5 min talk [ppt] and poster presentation [ppt])
Noel M O'Boyle, Suzanne C. Brewerton, Robin Taylor. Digging deep for GOLD - How buriedness may be used to discriminate between actives and inactives in docking. 8th International Conference on Chemical Structures, June 1-5 2008, Noordwijkerhout, The Netherlands. (Poster presentation [PDF])
Christoph Steinbeck, Rajarshi Guha, Noel O'Boyle, Stefan Kuhn, Mark Rijnbeek, Egon Willighagen. Is Open Source Cheminformatics fit for the large scale? 4th IEEE International Conference on e-Science. Workshop on eScience for cheminformatics and drug discovery, Dec 11 2008, Indianapolis, Indiana, US. (Oral presentation by Chris)
Noel M O'Boyle, Jason Cole, John Liebeschuetz, Robin Taylor. Improving enrichment rates - A practical solution to an impractical problem. 235th ACS National Meeting, April 6-10 2008, New Orleans, US. (Oral presentation [ppt])
Noel M O'Boyle. Making the most of a QM calculation and QM at Cambridge Crystallographic Data Centre (CCDC). ChemToolsMeet - CCP1 meeting on Molecular Modelling: Tools, GUIs and Visualisation, March 11-13 2008, Runcorn (near Daresbury), UK. (Oral presentations [PPT and PPT])
April 2010: A 6-hour lecture course for postgraduate students at University College Cork covering computational chemistry calculations, cheminformatics, computational drug design and internet technologies in chemistry.
| PowerPoint2007.pptx | PowerPoint2007.pptx | PowerPoint2007.pptx |
| PowerPoint2007.pptx | PowerPoint2007.pptx | PowerPoint2007.pptx |
| PowerPoint2007.pptx |