>> Noel O'Boyle

Talks and Lectures Part 2

For other Talks see Page 1...


Conference presentations Part 2

Noel M O'Boyle, Gemma L Holliday, Daniel E Almonacid, John BO Mitchell. Using reaction meachanism to measure enzyme similarity. 234th ACS National Meeting, August 19-23 2007, Boston, US. (Oral presentation)

Attended CSA Trust & Molecular Graphics and Modelling Society 4th Joint Sheffield Conference on Chemoinformatics, June 18-20 2007, Sheffield, UK.

Noel M O'Boyle, Adam Tenderholt, Mehdi Bounouar. cclib - Parsers and algorithms for computational chemists. Complife '06 - The 2nd International Symposium on Computational Life Science, Sept 27-29 2006, Cambridge, UK. (Oral presentation [PDF] and poster [PDF])

Noel M O'Boyle, Dave Palmer, John Mitchell. Data Analysis in QSAR. Unilever Centre for Molecular Informatics seminar series, May 2006, Cambridge, UK. (Oral presentation [PDF])

Noel M O'Boyle, Gemma L Holliday, Daniel E Almonacid, Peter Murray-Rust, John BO Mitchell, Janet M Thornton. Classification of Enzyme Reaction Mechanisms. 231st ACS National Meeting, March 26-30 2006, Atlanta, US. (Poster presentation [PDF])

Noel M O'Boyle, Gemma L Holliday, Gail J Bartlett, Daniel E Almonacid, Peter Murray-Rust, John BO Mitchell, Janet M Thornton. MACiE - A database for classification of enzyme reaction mechanisms. MGMS International Meeting: Biomolecular simulations - from prediction to practice, Sept 11-14 2005, Dublin, Ireland. (Poster presentation [PDF])

Noel M O'Boyle. Python for Chemistry in 21 Minutes. Seminar, Sept 2005, Unilever Centre for Molecular Informatics, University of Cambridge, UK. (Oral presentation [PDF])

Noel M O'Boyle, Johannes G Vos. Density functional theory investigation of ruthenium polypyridyl complexes incorporating 1,2,4-triazole. ESPA2004 - Electronic Structure: Principles and Applications, Sept 15-17 2004, Valladolid, Spain. (Poster presentation [ppt])

Noel M O'Boyle, Johannes G Vos. Density functional theory calculations on Ruthenium polypyridyl complexes incorporating 1,2,4-triazole. 15th ISPPCC - International Symposium on Photochemistry and Photophysics of Coordination Compounds, July 4-9 2004, Hong Kong. (Poster presentation [ppt])

Noel M O'Boyle, Johannes G Vos. Application of Density Functional Theory to Scanning Tunneling Microscopy. SUSANA project (EU Training and Mobility Network): Scientific Mid-Term Meeting, June 2004, University of Warwick, Coventry, UK. (Oral presentation [ppt])

Attended DFT2003 - 10th International Conference on the Applications of Density Functional Theory in Chemistry and Physics, Sept 7-12 2003, Brussels, Belgium.

Noel M O'Boyle, Wesley R Browne, Steve Welter, Ron TF Jukes, Luisa De Cola, Colin G Coates, John J McGarvey, Johannes G Vos. Towards Practical Molecular Devices: the Incorporation of a Solid Substrate as an Active Component in Molecular Assemblies. HRMSC & European Photochemistry Association Summer School - New Perspectives in Photochemistry, June 28-July 2, 2003, Egmond aan Zee, The Netherlands. (Poster presentation (see below) plus 3-slide intro)

Noel M O'Boyle, Johannes G Vos. Towards Practical Molecular Devices. Seminar, early 2003 (estimated), Dublin City University, Ireland. (Oral presentation [ppt])

Noel M O'Boyle, Wesley R Browne, Steve Welter, Ron TF Jukes, Luisa De Cola, Colin G Coates, John J McGarvey, Johannes G Vos. Towards Practical Molecular Devices: the Incorporation of a Solid Substrate as an Active Component in Molecular Assemblies. COST D19 International Workshop on Nanochemistry, Sept 26-28 2002, Vienna, Austria. (Poster presentation [ppt])