Mark Whittaker - researchr alias

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Viewing Publication 1 - 6 from 6

2013

Fighting Obesity with a Sugar-Based Library: Discovery of Novel MCH-1R Antagonists by a New Computational-VAST Approach for Exploration of GPCR Binding SitesAlexander Heifetz, Oliver Barker, Geraldine Verquin, Norbert Wimmer, Wim Meutermans, Sandeep Pal, Richard Law, Mark Whittaker. jcisd, 53(5):1084-1099, 2013. [doi]

2011

Prediction of cyclin-dependent kinase 2 inhibitor potency using the fragment molecular orbital methodMichael P. Mazanetz, Osamu Ichihara, Richard Law, Mark Whittaker. jcheminf, 3:2, 2011. [doi]

2010

An in Silico Method for Predicting Ames Activities of Primary Aromatic Amines by Calculating the Stabilities of Nitrenium IonsJörg Bentzien, Eugene R. Hickey, Raymond A. Kemper, Mark L. Brewer, Jane D. Dyekjær, Stephen P. East, Mark Whittaker. jcisd, 50(2):274-297, 2010. [doi]

2009

The multiple roles of computational chemistry in fragment-based drug designRichard Law, Oliver Barker, John J. Barker, Thomas Hesterkamp, Robert Godemann, Ole Andersen, Tara Fryatt, Steve Courtney, Dave Hallett, Mark Whittaker. jcamd, 23(8):459-473, 2009. [doi]

2005

Drug discovery: exploring the utility of cluster oriented genetic algorithms in virtual library designBhuvan Sharma, Ian C. Parmee, Mark Whittaker, Alistair Sedwell. cec 2005: 668-675 [doi]

1993

A Monte Carlo pharmacophore generation procedure: Application to the human PAF receptorEdward E. Hodgkin, Andrew Miller, Mark Whittaker. jcamd, 7(5):515-534, 1993.

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