Search results - ORA - Oxford University Research Archive

1 - 10 of 10

1

Conference item

SuCOS: A pharmacophoric-shape overlap metric for comparing binding modes

Leung, S, Bodkin, M, von Delft, F, et al.
2019-03-31

2

Working paper

SuCOS is better than RMSD for evaluating fragment elaboration and docking poses

Leung, S, Bodkin, M, Von Delft, F, et al.
2019

3

Journal article

Application of an Integrated GPCR SAR-Modelling Platform to Explain the Activation Selectivity of Human 5-HT2C over 5-HT2B

Heifetz, A, Storer, R, McMurray, G, et al.
2016-02-22

4

Journal article

Statistical Analysis on the Performance of Molecular Mechanics Poisson-Boltzmann Surface Area versus Absolute Binding Free Energy Calculations: Bromodomains as a Case Study.

Aldeghi, M, Bodkin, M, Knapp, S, et al.
2017-08-08

5

Journal article

Predictions of ligand selectivity from absolute binding free energy calculations

Aldeghi, M, Heifetz, A, Bodkin, M, et al.
2016-12-23

6

Journal article

Guiding lead optimization with GPCR structure modeling and molecular dynamics

Heifetz, A, James, T, Morao, I, et al.
2016-07-12

7

Journal article

Discovery of the first selective, nonpeptidic orexin 2 receptor agonists

Heifetz, A, Bodkin, M, Biggin, P
2015-09-16

8

Journal article

The fragment molecular orbital method reveals new insight into the chemical nature of GPCR-ligand interactions

Heifetz, A, Chudyk, E, Gleave, L, et al.
2015-12-07

9

Journal article

GPCR structure, function, drug discovery and crystallography: report from Academia-Industry International Conference (UK Royal Society) Chicheley Hall, 1-2 September 2014.

Heifetz, A, Schertler, G, Seifert, R, et al.
2015-08-01

10

Journal article

Using the fragment molecular orbital method to investigate agonist-orexin-2 receptor interactions

Heifetz, A, Aldeghi, M, Chudyk, E, et al.
2016-04-11

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