| 1 |
Determination of the pK(a) of the 2 '-hydroxyl group of a phosphorylated ribose: Implications for the mechanism of hammerhead ribozyme catalysis
Lyne PD, Karplus M
Journal of the American Chemical Society, 122(1), 166, 2000 |
| 2 |
Ab initio QM/MM study of the citrate synthase mechanism. A low-barrier hydrogen bond is not involved
Mulholland AJ, Lyne PD, Karplus M
Journal of the American Chemical Society, 122(3), 534, 2000 |
| 3 |
A hybrid QM-MM potential employing Hartree-Fock or density functional methods in the quantum region
Lyne PD, Hodoscek M, Karplus M
Journal of Physical Chemistry A, 103(18), 3462, 1999 |
| 4 |
Combined Quantum and Molecular Mechanical Study of DNA Cross-Linking by Nitrous-Acid
Elcock AH, Lyne PD, Mulholland AJ, Nandra A, Richards WG
Journal of the American Chemical Society, 117(16), 4706, 1995 |
| 5 |
Insights into Chorismate Mutase Catalysis from a Combined Qm/mm Simulation of the Enzyme Reaction
Lyne PD, Mulholland AJ, Richards WG
Journal of the American Chemical Society, 117(45), 11345, 1995 |
