Discovery of the first selective, nonpeptidic orexin 2 receptor agonists by Heifetz, A, Bodkin, M, Biggin, P

Statistical Analysis on the Performance of Molecular Mechanics Poisson-Boltzmann Surface Area versus Absolute Binding Free Energy Calculations: Bromodomains as a Case Study. by Aldeghi, M, Bodkin, M, Knapp, S, Biggin, P

Predictions of ligand selectivity from absolute binding free energy calculations by Aldeghi, M, Heifetz, A, Bodkin, M, Knapp, S, Biggin, P

Guiding lead optimization with GPCR structure modeling and molecular dynamics by Heifetz, A, James, T, Morao, I, Bodkin, M, Biggin, P

Accurate calculation of the absolute free energy of binding for drug molecules by Aldeghi, M, Heifetz, A, Bodkin, M, Knapp, S, Biggin, P

SuCOS is better than RMSD for evaluating fragment elaboration and docking poses by Leung, S, Bodkin, M, Von Delft, F, Brennan, P, Morris, G

SuCOS is better than RMSD for evaluating fragment elaboration and docking poses by Leung, S, Bodkin, M, Von Delft, F, Brennan, P, Morris, G

SuCOS: A pharmacophoric-shape overlap metric for comparing binding modes by Leung, S, Bodkin, M, von Delft, F, Brennan, P, Morris, G

Large-scale analysis of water stability in bromodomain binding pockets with grand canonical Monte Carlo by Aldeghi, M, Ross, G, Bodkin, M, Essex, J, Knapp, S, Biggin, P

Using the fragment molecular orbital method to investigate agonist-orexin-2 receptor interactions by Heifetz, A, Aldeghi, M, Chudyk, E, Fedorov, D, Bodkin, M, Biggin, P

Application of an Integrated GPCR SAR-Modelling Platform to Explain the Activation Selectivity of Human 5-HT2C over 5-HT2B by Heifetz, A, Storer, R, McMurray, G, James, T, Morao, I, Aldeghi, M, Bodkin, M, Biggin, P

The fragment molecular orbital method reveals new insight into the chemical nature of GPCR-ligand interactions by Heifetz, A, Chudyk, E, Gleave, L, Aldeghi, M, Cherezov, V, Fedorov, D, Biggin, P, Bodkin, M

GPCR structure, function, drug discovery and crystallography: report from Academia-Industry International Conference (UK Royal Society) Chicheley Hall, 1-2 September 2014. by Heifetz, A, Schertler, G, Seifert, R, Tate, C, Sexton, P, Gurevich, V, Fourmy, D, Cherezov, V, Marshall, F, Storer, R, Moraes, I, Tikhonova, I, Tautermann, C, Hunt, P, Ceska, T, Hodgson, S, Bodkin, M, Singh, S, Law, R, Biggin, P