Kirsten P. Eurenius

Enzyme mechanisms with hybrid quantum and molecular mechanical potentials. I. Theoretical considerations

Kirsten P. Eurenius, David C. Chatfield, Bernard R. Brooks et al. · International Journal of Quantum Chemistry · 1996 · 189 citations

Molecular Mechanical, Engineering, Hybrid Quantum +18

Optimization of quantum mechanical molecular mechanical partitioning schemes: Gaussian delocalization of molecular mechanical charges and the double link atom method

Debananda Das, Kirsten P. Eurenius, Eric M. Billings et al. · The Journal of Chemical Physics · 2002 · 189 citations

Dgmm Method, Engineering, Computational Chemistry +19

HIV-1 protease cleavage mechanism: A theoretical investigation based on classical MD simulation and reaction path calculations using a hybrid QM/MM potential

David C. Chatfield, Kirsten P. Eurenius, Bernard R. Brooks · Journal of Molecular Structure THEOCHEM · 1998 · 53 citations

Protein Assembly, Biochemistry, Protein Folding +9

Rational vs Random Parameters in Transition State Modeling: MM2 Transition State Models for Intramolecular Hydride Transfers

Kirsten P. Eurenius, K. N. Houk · Journal of the American Chemical Society · 1994 · 10 citations

Engineering, Proton-coupled Electron Transfer, Altmetric Attention Score +17