TY - JOUR
AU1 - Vanessa, Leone
AU2 - Gianluca, Lattanzi
AU3 - Carla, Molteni
AU4 - Paolo, Carloni
AB - Trans/cis prolyl isomerisation is involved in several biological processes, including the development of numerous diseases. In the HIV-1 capsid protein (CA), such a process takes place in the uncoating and recruitment of the virion and is catalyzed by cyclophilin A (CypA). Here, we use metadynamics simulations to investigate the isomerization of CA's model substrate HAGPIA in water and in its target protein CypA. Our results allow us to propose a novel mechanistic hypothesis, which is finally consistent with all of the available molecular biology data.
TI - Mechanism of Action of Cyclophilin A Explored by Metadynamics Simulations
JF - PLoS Computational Biology
DO - 10.1371/journal.pcbi.1000309
DA - 2009-03-13
UR - https://www.deepdyve.com/lp/public-library-of-science-plos-journal/mechanism-of-action-of-cyclophilin-a-explored-by-metadynamics-7G3zo4YYh6
SP - e1000309
VL - 5
IS - 3
DP - DeepDyve
ER -