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2020 – today
- 2020
[j23]Andreas Tosstorff
, Jason C. Cole, Robin Taylor, Seth F. Harris, Bernd Kuhn:
Identification of Noncompetitive Protein-Ligand Interactions for Structural Optimization. J. Chem. Inf. Model. 60(12): 6595-6611 (2020)
2010 – 2019
- 2018
- [j22]Jason C. Cole, Oliver Korb, Patrick McCabe, Murray G. Read, Robin Taylor:
Knowledge-Based Conformer Generation Using the Cambridge Structural Database. J. Chem. Inf. Model. 58(3): 615-629 (2018) - 2016
- [j21]Stuart Lewis, Lorraine Beard, Mary McDerby, Robin Taylor, Thomas Higgins, Claire Knowles:
Developing a Data Vault. Int. J. Digit. Curation 11(1): 86-95 (2016) - 2014
- [j20]Patrick McCabe, Oliver Korb, Jason C. Cole, Robin Taylor:
Kernel density estimation of CSD distributions - an application to knowledge based molecular optimisation. J. Cheminformatics 6(S-1): 10 (2014) - [j19]Robin Taylor, Jason C. Cole, Oliver Korb, Patrick McCabe:
Knowledge-Based Libraries for Predicting the Geometric Preferences of Druglike Molecules. J. Chem. Inf. Model. 54(9): 2500-2514 (2014) - 2012
- [j18]Robin Taylor, Jason C. Cole, David A. Cosgrove, Eleanor J. Gardiner, Valerie J. Gillet, Oliver Korb:
Development and validation of an improved algorithm for overlaying flexible molecules. J. Comput. Aided Mol. Des. 26(4): 451-472 (2012) - [j17]Simon J. Cottrell, Tjelvar S. G. Olsson, Robin Taylor, Jason C. Cole, John W. Liebeschuetz:
Validating and Understanding Ring Conformations Using Small Molecule Crystallographic Data. J. Chem. Inf. Model. 52(4): 956-962 (2012) - 2011
- [j16]Robin Taylor:
Short Nonbonded Contact Distances in Organic Molecules and Their Use as Atom-Clash Criteria in Conformer Validation and Searching. J. Chem. Inf. Model. 51(4): 897-908 (2011)
2000 – 2009
- 2009
- [j15]Eleanor J. Gardiner, David A. Cosgrove, Robin Taylor, Valerie J. Gillet:
Multiobjective Optimization of Pharmacophore Hypotheses: Bias Toward Low-Energy Conformations. J. Chem. Inf. Model. 49(12): 2761-2773 (2009) - 2008
- [j14]Noel M. O'Boyle, Suzanne Clare Brewerton, Robin Taylor:
Using Buriedness To Improve Discrimination between Actives and Inactives in Docking. J. Chem. Inf. Model. 48(6): 1269-1278 (2008) - 2006
- [j13]Simon J. Cottrell, Valerie J. Gillet, Robin Taylor:
Incorporating partial matches within multiobjective pharmacophore identification. J. Comput. Aided Mol. Des. 20(12): 735-749 (2006) - 2005
- [j12]Stephanie E. Harris, A. Guy Orpen, Ian J. Bruno, Robin Taylor:
Factors Affecting d-Block Metal-Ligand Bond Lengths: Toward an Automated Library of Molecular Geometry for Metal Complexes. J. Chem. Inf. Model. 45(6): 1727-1748 (2005) - 2004
- [j11]Simon J. Cottrell, Valerie J. Gillet, Robin Taylor, David J. Wilton:
Generation of multiple pharmacophore hypotheses using multiobjective optimisation techniques. J. Comput. Aided Mol. Des. 18(11): 665-682 (2004) - [j10]Ian J. Bruno, Jason C. Cole, Magnus Kessler, Jie Luo, W. D. Sam Motherwell, Lucy H. Purkis, Barry R. Smith, Robin Taylor, Richard I. Cooper, Stephanie E. Harris, A. Guy Orpen:
Retrieval of Crystallographically-Derived Molecular Geometry Information. J. Chem. Inf. Model. 44(6): 2133-2144 (2004)
1990 – 1999
- 1998
- [j9]Ian J. Bruno, Jason C. Cole, Jos P. M. Lommerse, R. Scott Rowland, Robin Taylor, Marcel L. Verdonk:
IsoStar: A library of information about nonbonded interactions. J. Comput. Aided Mol. Des. 12(6): 525-537 (1998) - 1997
- [j8]David A. Thorner, Peter Willett, P. Matthew Wright, Robin Taylor:
Similarity searching in files of three-dimensional chemical structures: Representation and searching of molecular electrostatic potentials using field-graphs. J. Comput. Aided Mol. Des. 11(2): 163-174 (1997) - [j7]Ian J. Bruno, Jason C. Cole, Jos P. M. Lommerse, R. Scott Rowland, Robin Taylor, Marcel L. Verdonk:
IsoStar: A library of information about nonbonded interactions. J. Comput. Aided Mol. Des. 11(6): 525-537 (1997) - [j6]Jos P. M. Lommerse, Sarah L. Price, Robin Taylor:
Hydrogen bonding of carbonyl, ether, and ester oxygen atoms with alkanol hydroxyl groups. J. Comput. Chem. 18(6): 757-774 (1997) - 1996
- [j5]Frank H. Allen, Stephanie E. Harris, Robin Taylor:
Comparison of conformer distributions in the crystalline state with conformational energies calculated by ab initio techniques. J. Comput. Aided Mol. Des. 10(3): 247-254 (1996) - 1995
- [j4]Robin Taylor:
Simulation Analysis of Experimental Design Strategies for Screening Random Compounds as Potential New Drugs and Agrochemicals. J. Chem. Inf. Comput. Sci. 35(1): 59-67 (1995) - 1994
- [j3]Anne Mullaley, Robin Taylor:
Conformational properties of pyrethroids. J. Comput. Aided Mol. Des. 8(2): 135-152 (1994) - 1993
- [j2]John S. Delaney, Anne Mullaley, Graham W. Mullier, Graham J. Sexton, Robin Taylor, Russell C. Viner:
Rapid construction of data tables for quantitative structure-activity relationship studies. J. Chem. Inf. Comput. Sci. 33(1): 174-178 (1993) - 1991
- [c1]Robin Taylor:
A Seven Layer Data Architecture for Business Understanding and Database Implementation. ER 1991: 783-793
1980 – 1989
- 1986
- [j1]Robin Taylor, Olga Kennard:
Cambridge Crystallographic Data Centre. 7. Estimating average molecular dimensions from the Cambridge Structural Database. J. Chem. Inf. Comput. Sci. 26(1): 28-32 (1986)
Coauthor Index
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