A copy of this work was available on the public web and has been preserved in the Wayback Machine. The capture dates from 2019; you can also visit the original URL.
The file type is application/pdf.
Complete sampling of an enzyme reaction pathway: a lesson from gas phase simulations
2017
RSC Advances
Preserved Fulltext
With proper sampling strategy, convergence of free energy profiles of biomolecular reactions in the gas phase can be achieved in microseconds of simulation.
doi:10.1039/c6ra27894a
fatcat:ms75c2uwk5a6zkavrz7efx6cui