| 1 |
Mechanisms of antibiotic resistance: QM/MM modeling of the acylation reaction of a class A beta-lactamase with benzylpenicillin
Hermann JC, Hensen C, Ridder L, Mulholland AJ, Holtje HD
Journal of the American Chemical Society, 127(12), 4454, 2005 |
| 2 |
Ab initio QM/MM modeling of the hydroxylation step in p-hydroxybenzoate hydroxylase
Ridder L, Harvey JN, Rietjens IMCM, Vervoort J, Mulholland AJ
Journal of Physical Chemistry B, 107(9), 2118, 2003 |
| 3 |
Identification of Glu166 as the general base in the acylation reaction of class A beta-lactamases through QM/MM modeling
Hermann JC, Ridder L, Mulholland AJ, Holtje HD
Journal of the American Chemical Society, 125(32), 9590, 2003 |
| 4 |
Aromatic hydroxylation by cytochrome P450: Model calculations of mechanism and substituent effects
Bathelt CM, Ridder L, Mulholland AJ, Harvey JN
Journal of the American Chemical Society, 125(49), 15004, 2003 |
| 5 |
Quantum mechanical/molecular mechanical free energy Simulations of the glutathione S-transferase (M1-1) reaction with phenanthrene 9,10-oxide
Ridder L, Rietjens IMCM, Vervoort J, Mulholland AJ
Journal of the American Chemical Society, 124(33), 9926, 2002 |
| 6 |
A quantum mechanical/molecular mechanical study of the hydroxylation of phenol and halogenated derivatives by phenol hydroxylase
Ridder L, Mulholland AJ, Rietjens IMCM, Vervoort J
Journal of the American Chemical Society, 122(36), 8728, 2000 |
| 7 |
Correlation of calculated activation energies with experimental rate constants for an enzyme catalyzed aromatic hydroxylation
Ridder L, Mulholland AJ, Vervoort J, Rietjens IMCM
Journal of the American Chemical Society, 120(30), 7641, 1998 |
