Mark Whittaker

According to our database, Mark Whittaker authored at least 6 papers between 1993 and 2013.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

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 Sites.

Alexander Heifetz, Oliver Barker, Geraldine Verquin, Norbert Wimmer, Wim Meutermans, Sandeep Pal, Richard Law, Mark Whittaker

J. Chem. Inf. Model., 2013

2011

Prediction of cyclin-dependent kinase 2 inhibitor potency using the fragment molecular orbital method.

Michael P. Mazanetz, Osamu Ichihara, Richard Law, Mark Whittaker

J. Cheminformatics, 2011

2010

An in Silico Method for Predicting Ames Activities of Primary Aromatic Amines by Calculating the Stabilities of Nitrenium Ions.

Jörg Bentzien, Eugene R. Hickey, Raymond A. Kemper, Mark L. Brewer, Jane D. Dyekjær, Stephen P. East, Mark Whittaker

J. Chem. Inf. Model., 2010

2009

The multiple roles of computational chemistry in fragment-based drug design.

Richard Law, Oliver Barker, John J. Barker, Thomas Hesterkamp, Robert Godemann, Ole Andersen, Tara Fryatt, Steve Courtney, Dave Hallett, Mark Whittaker

J. Comput. Aided Mol. Des., 2009

2005

Drug discovery: exploring the utility of cluster oriented genetic algorithms in virtual library design.

Bhuvan Sharma, Ian C. Parmee, Mark Whittaker, Alistair Sedwell

Proceedings of the IEEE Congress on Evolutionary Computation, 2005

1993

A Monte Carlo pharmacophore generation procedure: Application to the human PAF receptor.

Edward E. Hodgkin, Andrew Miller, Mark Whittaker

J. Comput. Aided Mol. Des., 1993