2006 |
Analytical gradient of restricted second-order Moller-Plesset correlation energy with the resolution of the identity approximation, applied to the TCNE dimer anion complex Rhee, Y.M.; DiStasio Jr., R.A.; Lochan, R.C.; Head-Gordon, M. [Chem. Phys. Lett. 426, 197-203(2006)] Abstract |
2006 |
Kinetic definition of protein folding transition state ensembles and reaction coordinates Snow, C.D.; Rhee, Y.M.; Pande, V.S. [Biophys. J. 91, 14-24(2006)] Abstract |
2006 |
On the role of chemical detail in simulating protein folding kinetics Rhee, Y.M.; Pande, V.S. [Chem. Phys. 323, 66-77(2006)] Abstract |
2006 |
The solvation interface is a determining factor in peptide conformational preferences Sorin, E.J.; Rhee, Y.M.; Shirts, M.R.; Pande, V.S. [J. Mol. Biol. 356, 248-(2006)] Abstract |
2005 |
How well can simulation predict protein folding kinetics and thermodynamics? Snow, C.D.; Sorin, E.J.; Rhee, Y.M.; Pande, V.S. [Annu. Rev. Biophys. Biomol. Struct. 34, 43-69(2005)] Abstract |
2005 |
One-dimensional reaction coordinate and the corresponding potential of mean force from commitment probability distribution Rhee, Y.M.; Pande, V.S. [J. Phys. Chem. B 109, 6780-(2005)] Abstract |
2005 |
Does water play a structural role in the folding of small nucleic acids? Sorin, E.J.; Rhee, Y.M.; Pande, V.S. [Biophys. J. 88, 2516-2524(2005)] Abstract |
2005 |
Dimerization of the p53 oligomerization domain: Identification of a folding nucleus by molecular dynamics simulations Chong, L.T.; Snow, C.D.; Rhee, Y.M.; Pande, V.S. [J. Mol. Biol. 345, 869-(2005)] Abstract |