Articoli con mandati relativi all'accesso pubblico - Benedict W. J. IrwinUlteriori informazioni
Disponibili pubblicamente: 11
Estimating atomic contributions to hydration and binding using free energy perturbation
BWJ Irwin, DJ Huggins
Journal of chemical theory and computation 14 (6), 3218-3227, 2018
Mandati: UK Engineering and Physical Sciences Research Council, UK Medical Research …
An Open Drug Discovery Competition: Experimental Validation of Predictive Models in a Series of Novel Antimalarials
GT Edwin, L Aithani, M Anderson, J Cardoso-Silva, G Cincilla, GJ Conduit, ...
Journal of medicinal chemistry, 2021
Mandati: US National Science Foundation, Australian Research Council, UK Engineering …
A Large Scale Study of Hydration Environments Through Hydration Sites
BWJ Irwin, S Vukovic, MC Payne, DJ Huggins
The Journal of Physical Chemistry Part B: Condensed Matter, Materials …, 2019
Mandati: UK Engineering and Physical Sciences Research Council, UK Medical Research …
Functional Movements of the GABA type A receptor
C Varnai, BWJ Irwin, M Payne, G Csányi, PL Chau
Physical Chemistry Chemical Physics, 2020
Mandati: UK Engineering and Physical Sciences Research Council, UK Science and …
GABA Receptor Associated Protein Changes the Electrostatic Environment Around the GABA type A Receptor
B Irwin
PROTEINS: Structure, Function, and Bioinformatics, 2021
Mandati: UK Engineering and Physical Sciences Research Council, UK Science and …
Prediction of GABARAP interaction with the GABA type A receptor
BWJ Irwin, S Vukovič, MC Payne, M ElGamacy, PL Chau
Proteins: Structure, Function, and Bioinformatics 86 (12), 1251-1264, 2018
Mandati: UK Engineering and Physical Sciences Research Council, UK Medical Research …
On the accuracy of one-and two-particle solvation entropies
BWJ Irwin, DJ Huggins
The Journal of Chemical Physics 146 (19), 2017
Mandati: US National Institutes of Health, UK Engineering and Physical Sciences …
Efficiently Differentiating Agonists and Competitive Antagonists for Weak Allosteric Protein–Ligand Interactions with Linear Response Theory
AJ Davolio, W J. Jankowski, C Várnai, BWJ Irwin, MC Payne, PL Chau
ACS omega 8 (47), 44537-44544, 2023
Mandati: UK Engineering and Physical Sciences Research Council, UK Science and …
Differentiating Agonists and Competitive Antagonists of the Serotonin Type 3A (5-HT3A) Receptor
AJ Davolio, WJ Jankowski, C Várnai, BWJ Irwin, MC Payne, PL Chau
bioRxiv, 2023.05. 15.540789, 2023
Mandati: UK Engineering and Physical Sciences Research Council, UK Science and …
A Natural Representation of Functions for Exact Learning
B Irwin
Mandati: UK Engineering and Physical Sciences Research Council
A Natural Representation of Functions that Facilitates 'Exact Learning'
BWJ Irwin
PATTERNS-D-20-00065, 2020
Mandati: UK Engineering and Physical Sciences Research Council
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