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

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

Cryptic pocket formation underlies allosteric modulator selectivity at muscarinic GPCRs

by 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
Published 2019