WizePairZ: a novel algorithm to identify, encode, and exploit matched molecular pairs with unspecified cores in medicinal chemistry

por Warner, Dan J, St-Gallay, Stephen A, Griffen, Edward J
Publicado 2011

Limitations and lessons in the use of X-ray structural information in drug design

por Davis, Andrew M., St-Gallay, Stephen A., Kleywegt, Gerard J.
Publicado 2008

Predicting protein–ligand binding affinity and correcting crystal structures with quantum mechanical calculations: lactate dehydrogenase A

por Lukac, Iva, Abdelhakim, Hend, Ward, Richard A., St-Gallay, Stephen A., Madden, Judith C., Leach, Andrew G.
Publicado 2019

Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase

por Garcin, Elsa D., Arvai, Andrew S., Rosenfeld, Robin J., Kroeger, Matt D., Crane, Brian R., Andersson, Gunilla, Andrews, Glen, Hamley, Peter J., Mallinder, Philip R., Nicholls, David J., St-Gallay, Stephen A., Tinker, Alan C., Gensmantel, Nigel P., Mete, Antonio, Cheshire, David R., Connolly, Stephen, Stuehr, Dennis J., Åberg, Anders, Wallace, Alan V., Tainer, John A., Getzoff, Elizabeth D.
Publicado 2008