cclib: A library for package-independent computational chemistry algorithms
O'boyle, Noel M., Tenderholt, Adam L., Langner, Karol M.
Published in Journal of computational chemistry (15.04.2008)
Published in Journal of computational chemistry (15.04.2008)
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Journal Article
Using Matched Molecular Series as a Predictive Tool To Optimize Biological Activity
O’Boyle, Noel M, Boström, Jonas, Sayle, Roger A, Gill, Adrian
Published in Journal of medicinal chemistry (27.03.2014)
Published in Journal of medicinal chemistry (27.03.2014)
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Journal Article
Open Babel: An open chemical toolbox
O'Boyle, Noel M, Banck, Michael, James, Craig A, Morley, Chris, Vandermeersch, Tim, Hutchison, Geoffrey R
Published in Journal of cheminformatics (07.10.2011)
Published in Journal of cheminformatics (07.10.2011)
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Journal Article
Confab - Systematic generation of diverse low-energy conformers
O'Boyle, Noel M, Vandermeersch, Tim, Flynn, Christopher J, Maguire, Anita R, Hutchison, Geoffrey R
Published in Journal of cheminformatics (16.03.2011)
Published in Journal of cheminformatics (16.03.2011)
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Journal Article
Curcumin-induced degradation of PKCδ is associated with enhanced dentate NCAM PSA expression and spatial learning in adult and aged Wistar rats
Conboy, Lisa, Foley, Andrew G., O’Boyle, Noel M., Lawlor, Marie, Gallagher, Helen C., Murphy, Keith J., Regan, Ciaran M.
Published in Biochemical pharmacology (01.04.2009)
Published in Biochemical pharmacology (01.04.2009)
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Journal Article
Utilizing Sulfoxide···Iodine Halogen Bonding for Cocrystallization
Eccles, Kevin S, Morrison, Robin E, Stokes, Stephen P, O’Mahony, Graham E, Hayes, John A, Kelly, Dawn M, O’Boyle, Noel M, Fábián, László, Moynihan, Humphrey A, Maguire, Anita R, Lawrence, Simon E
Published in Crystal growth & design (06.06.2012)
Published in Crystal growth & design (06.06.2012)
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Journal Article
Using Reaction Mechanism to Measure Enzyme Similarity
O'Boyle, Noel M., Holliday, Gemma L., Almonacid, Daniel E., Mitchell, John B.O.
Published in Journal of molecular biology (18.05.2007)
Published in Journal of molecular biology (18.05.2007)
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Journal Article
Editorial overview: Artificial intelligence (AI) methodology in structural biology
Bender, Andreas, de Graaf, Chris, O'Boyle, Noel M.
Published in Current opinion in structural biology (01.10.2023)
Published in Current opinion in structural biology (01.10.2023)
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Journal Article
Computational Design and Selection of Optimal Organic Photovoltaic Materials
O’Boyle, Noel M, Campbell, Casey M, Hutchison, Geoffrey R
Published in Journal of physical chemistry. C (18.08.2011)
Published in Journal of physical chemistry. C (18.08.2011)
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Journal Article
Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on
O'Boyle, Noel M, Guha, Rajarshi, Willighagen, Egon L, Adams, Samuel E, Alvarsson, Jonathan, Bradley, Jean-Claude, Filippov, Igor V, Hanson, Robert M, Hanwell, Marcus D, Hutchison, Geoffrey R, James, Craig A, Jeliazkova, Nina, Lang, Andrew SID, Langner, Karol M, Lonie, David C, Lowe, Daniel M, Pansanel, Jérôme, Pavlov, Dmitry, Spjuth, Ola, Steinbeck, Christoph, Tenderholt, Adam L, Theisen, Kevin J, Murray-Rust, Peter
Published in Journal of cheminformatics (14.10.2011)
Published in Journal of cheminformatics (14.10.2011)
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Journal Article
MACiE: a database of enzyme reaction mechanisms
Holliday, Gemma L., Bartlett, Gail J., Almonacid, Daniel E., O'Boyle, Noel M., Murray-Rust, Peter, Thornton, Janet M., Mitchell, John B. O.
Published in Bioinformatics (01.12.2005)
Published in Bioinformatics (01.12.2005)
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Journal Article
Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit
O'Boyle, Noel M, Morley, Chris, Hutchison, Geoffrey R
Published in Chemistry Central journal (09.03.2008)
Published in Chemistry Central journal (09.03.2008)
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Journal Article
Userscripts for the life sciences
Willighagen, Egon L, O'Boyle, Noel M, Gopalakrishnan, Harini, Jiao, Dazhi, Guha, Rajarshi, Steinbeck, Christoph, Wild, David J
Published in BMC bioinformatics (21.12.2007)
Published in BMC bioinformatics (21.12.2007)
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Journal Article