Publications

Title Author(s) Publication Year
Lessons and Successes in the Use of Molecular Fields P Tosco, M Mackey Comprehensive Medicinal Chemistry III 2017
Using computational methods to elucidate protein-ligand interactions Katriona Scoffin PharmaChem 2017
Chemical Reaction Giovanna Tedesco, Katriona Scoffin Innovations in Pharmaceutical Technology 2016
Flavours, Fragrances and Force fields Martin Slater, Katriona Scoffin Chemistry in Australia, pages 14-17 2016
Where are the gaps in your data? Giovanna Tedesco, Katriona Scoffin International Pharmaceutical Industry 2016
Sky’s the Limit Tim Cheeseright, Katriona Scoffin Innovations in Pharmaceutical Technology 2015
Optimizing compound selectivity through multi-dimensional activity cliff analysis Tim Cheeseright, Mark Mackey PharmaChem 2015
Smart drug reprofiling Robert Scoffin BioPharma Dealmakers 2015
The Virtual Elaboration of Fragment Ideas: Growing, Merging and Linking Fragments with Realistic Chemistry R. Scoffin, M. Slater Drug Discovery, Development and Delivery, Volume 7 Issue 2 2015
Keeping The Right Chemistry In Compound Procurement M. Slater Outsourced Pharma 2014
Rise of the Machines R. Scoffin Innovations in Pharmaceutical Technology 2014
Outsourcing Computational Chemistry for Drug Discovery M. Slater International Pharmaceutical Industry 2014
HTS Rescue: Using Virtual Screening to Improve the Quality of HTS Data T. Cheeseright, K. Scoffin Drug Discovery and Development 2014
Make Way for Virtual Screening R. Scoffin, T. Cheeseright Innovations in Pharmaceutical Technology 2013
The Pharmacology of Chocolate R. Lawrence NutraCos, pages 57-59 2013
Porting Virtual Screening Applications S. Krige Scientific Computing World 2013
The Advantages of Outsourcing Computational Chemistry, Part 2 M. Slater sp2 Interactive 2013
Switching Series M. Slater Drug Discovery and Development 2013
The Changing Face of Computational Chemistry M. Slater Scientific Computing World 2013
The Advantages of Outsourcing Computational Chemistry, Part 1 M. Slater sp2 Interactive 2013
New Drugs from Old R. Scoffin Innovations in Pharmaceutical Technology 2012
Building a Focused Library M. Slater, K. Scoffin Genetic Engineering News 2012
Moving from Novel Target to Novel Chemistry S. Gardner Genetic Engineering News 2011
Simulating Structures S. GardnerS Scientific American (Pathways) 2011
High Content Pharmacophores from Molecular Fields: A Biologically Relevant Method for Comparing and Understanding Ligands T. Cheeseright, M. Mackey, R. Scoffin Current Computer-Aided Drug Design, 7, 000-000 2011
Field Focused Library Design S. Gardner, T. Cheeseright, W. Reilly, J.G. Vinter Drug Discovery and Development 2010
Field-Based Technology in the Evaluation of In-Licensing Candidates S. Gardner, J.G. Vinter Innovations in Pharmaceutical Technology 2010
Stronger Protection for New Drugs S. Gardner, J.G. Vinter Pharma Magazine 2010
Better than Random? The Chemotype Enrichment Problem M. Mackey, J. Melville J. Chem. Inf. Model., 49, 1154-1162 2009
Overcoming the Limitations of Chemical Structure J.G. Vinter, S. Gardner, S. Rose Drug Discovery World, Summer, 58-63 2009
Demystifying Medicinal Chemistry Efforts S. Gardner Genetic Engineering News, September 1, 34-35 2009
Beyond Markush – Protecting Activity not Chemical Structure S. Gardner, J.G. Vinter Innovations in Pharmaceutical Technology, Autumn, 42-46 2009
The Identification of Bioisosteres as Drug Development Candidates Tim Cheeseright Innovations in Pharmaceutical Technology 2009
A Better Way to Understand the Activity, Toxicity and IP Risks of Drug Candidates S. Gardner, J.G. Vinter Licensing Executives Society, 129 2009
FieldScreen: Virtual Screening Using Molecular Fields. Application to the DUD Data Set T. Cheeseright, M. Mackey, J. Melville, J.G. Vinter J. Chem. Inf. Model., 48, 2108-2117 2008
Finding Better Leads using Molecular Fields S. Rose, T. Cheeseright Chem. Bio News 2008
Molecular Field Technology Applied to Virtual Screening and Finding the Bioactive Conformation T. Cheeseright, M. Mackey, S. Rose, J.G. Vinter Expert Opin. Drug Discov., 2, 131-144 2007
Molecular Field Technology and its Applications in Drug Discovery S. Rose, J.G. Vinter Innovations in Pharmaceutical Technology, 14-18 2007
Molecular Field Extrema as Descriptors of Biological Activity: Definition and Validation T. Cheeseright, M. Mackey, S. Rose, J.D. Vinter J. Chem. Inf. Model., 46, 665-676 2006
Peptides to Non-Peptides: Leads from Structureless Virtual Screening T. Cheeseright, M. Mackey, J.G. Vinter DDT BIOSILICO, 2, 57-60 2004
Extended Electron Distributions Applied to the Molecular Mechanics of some Intermolecular Interactions J.G. Vinter J. Comput.-Aided Mol. Des., 8, 653-668 1994