Evaluating the effects of cutoffs and treatment of long-range electrostatics in protein folding simulations.

por Stefano Piana, Kresten Lindorff-Larsen, Robert M Dirks, John K Salmon, Ron O Dror, David E Shaw
Publicado 2012

Cryptic pocket formation underlies allosteric modulator selectivity at muscarinic GPCRs

por Scott A. Hollingsworth, Brendan Kelly, Celine Valant, Jordan Arthur Michaelis, Olivia Mastromihalis, Geoff Thompson, A. J. Venkatakrishnan, Samuel Hertig, Peter J. Scammells, Patrick M. Sexton, Christian C. Felder, Arthur Christopoulos, Ron O. Dror
Publicado 2019