Robin Taylor - researchr alias

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Viewing Publication 1 - 24 from 24

2020

Identification of Noncompetitive Protein-Ligand Interactions for Structural OptimizationAndreas Tosstorff, Jason C. Cole, Robin Taylor, Seth F. Harris, Bernd Kuhn. jcisd, 60(12):6595-6611, 2020. [doi]

2018

Knowledge-Based Conformer Generation Using the Cambridge Structural DatabaseJason C. Cole, Oliver Korb, Patrick McCabe, Murray G. Read, Robin Taylor. jcisd, 58(3):615-629, 2018. [doi]

2016

Developing a Data VaultStuart Lewis, Lorraine Beard, Mary McDerby, Robin Taylor, Thomas Higgins, Claire Knowles. ijdc, 11(1):86-95, 2016. [doi]

2014

Kernel density estimation of CSD distributions - an application to knowledge based molecular optimisationPatrick McCabe, Oliver Korb, Jason C. Cole, Robin Taylor. jcheminf, 6(S-1):10, 2014. [doi]

Knowledge-Based Libraries for Predicting the Geometric Preferences of Druglike MoleculesRobin Taylor, Jason C. Cole, Oliver Korb, Patrick McCabe. jcisd, 54(9):2500-2514, 2014. [doi]

2012

Validating and Understanding Ring Conformations Using Small Molecule Crystallographic DataSimon J. Cottrell, Tjelvar S. G. Olsson, Robin Taylor, Jason C. Cole, John W. Liebeschuetz. jcisd, 52(4):956-962, 2012. [doi]

Development and validation of an improved algorithm for overlaying flexible moleculesRobin Taylor, Jason C. Cole, David A. Cosgrove, Eleanor J. Gardiner, Valerie J. Gillet, Oliver Korb. jcamd, 26(4):451-472, 2012. [doi]

2011

Short Nonbonded Contact Distances in Organic Molecules and Their Use as Atom-Clash Criteria in Conformer Validation and SearchingRobin Taylor. jcisd, 51(4):897-908, 2011. [doi]

2009

Multiobjective Optimization of Pharmacophore Hypotheses: Bias Toward Low-Energy ConformationsEleanor J. Gardiner, David A. Cosgrove, Robin Taylor, Valerie J. Gillet. jcisd, 49(12):2761-2773, 2009. [doi]

2008

Using Buriedness To Improve Discrimination between Actives and Inactives in DockingNoel M. O'Boyle, Suzanne Clare Brewerton, Robin Taylor. jcisd, 48(6):1269-1278, 2008. [doi]

2006

Incorporating partial matches within multiobjective pharmacophore identificationSimon J. Cottrell, Valerie J. Gillet, Robin Taylor. jcamd, 20(12):735-749, 2006. [doi]

2005

Factors Affecting ::::d::::-Block Metal-Ligand Bond Lengths: Toward an Automated Library of Molecular Geometry for Metal ComplexesStephanie E. Harris, A. Guy Orpen, Ian J. Bruno, Robin Taylor. jcisd, 45(6):1727-1748, 2005. [doi]

2004

1998

IsoStar: A library of information about nonbonded interactionsIan J. Bruno, Jason C. Cole, Jos P. M. Lommerse, R. Scott Rowland, Robin Taylor, Marcel L. Verdonk. jcamd, 12(6):525-537, 1998. [doi]

1997

1996

Comparison of conformer distributions in the crystalline state with conformational energies calculated by ab initio techniquesFrank H. Allen, Stephanie E. Harris, Robin Taylor. jcamd, 10(3):247-254, 1996.

1995

Simulation Analysis of Experimental Design Strategies for Screening Random Compounds as Potential New Drugs and AgrochemicalsRobin Taylor. jcisd, 35(1):59-67, 1995.

1994

Conformational properties of pyrethroidsAnne Mullaley, Robin Taylor. jcamd, 8(2):135-152, 1994.

1993

Rapid construction of data tables for quantitative structure-activity relationship studiesJohn S. Delaney, Anne Mullaley, Graham W. Mullier, Graham J. Sexton, Robin Taylor, Russell C. Viner. jcisd, 33(1):174-178, 1993. [doi]

1991

A Seven Layer Data Architecture for Business Understanding and Database ImplementationRobin Taylor. er 1991: 783-793 [doi]

1986

Cambridge Crystallographic Data Centre. 7. Estimating average molecular dimensions from the Cambridge Structural DatabaseRobin Taylor, Olga Kennard. jcisd, 26(1):28-32, 1986. [doi]

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