Learning protein-ligand binding affinity with atomic environment vectors

por Meli, Rocco, Anighoro, Andrew, Bodkin, Mike J., Morris, Garrett M., Biggin, Philip C.
Publicado 2021

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

por Heifetz, Alexander, Aldeghi, Matteo, Chudyk, Ewa I., Fedorov, Dmitri G., Bodkin, Mike J., Biggin, Philip C.
Publicado 2016

Rapid and accurate assessment of GPCR–ligand interactions Using the fragment molecular orbital‐based density‐functional tight‐binding method

por Morao, Inaki, Fedorov, Dmitri G., Robinson, Roger, Southey, Michelle, Townsend‐Nicholson, Andrea, Bodkin, Mike J., Heifetz, Alexander
Publicado 2017

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

por Heifetz, Alexander, Schertler, Gebhard F. X., Seifert, Roland, Tate, Christopher G., Sexton, Patrick M., Gurevich, Vsevolod V., Fourmy, Daniel, Cherezov, Vadim, Marshall, Fiona H., Storer, R. Ian, Moraes, Isabel, Tikhonova, Irina G., Tautermann, Christofer S., Hunt, Peter, Ceska, Tom, Hodgson, Simon, Bodkin, Mike J., Singh, Shweta, Law, Richard J., Biggin, Philip C.
Publicado 2015