58 citations · 60 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2010★ 58 cited
Puckering Free Energy of Pyranoses: an NMR and Metadynamics--Umbrella Sampling Investigation
Emmanuel Autieri, Marcello Sega, Francesco Pederiva +1
We present the results of a combined metadynamics--umbrella sampling investigation of the puckered conformers of pyranoses described using the gromos 45a4 force field. The free ene…
physics.chem-ph2010★ 2 cited
Puckering Free Energy of Pyranoses Using a Combined Metadynamics-Umbrella Sampling Approach
E. Autieri, M. Sega, F. Pederiva
We present the results of a combined metadynamics-umbrella sampling investigation of the puckered conformers of pyranoses described using the gromos 45a4 force field. The free ener…