Optimization of quantum mechanical molecular mechanical partitioning schemes: Gaussian delocalization of molecular mechanical charges and the double link atom method von Das, Debananda, Eurenius, Kirsten P., Billings, Eric M., Sherwood, Paul, Chatfield, David C., Hodošček, Milan, Brooks, Bernard R.

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Rational vs Random Parameters in Transition State Modeling: MM2 Transition State Models for Intramolecular Hydride Transfers von Eurenius, Kirsten P, Houk, K. N

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Enzyme mechanisms with hybrid quantum and molecular mechanical potentials. I. Theoretical considerations von Eurenius, Kirsten P., Chatfield, David C., Brooks, Bernard R., Hodoscek, Milan

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HIV-1 protease cleavage mechanism: A theoretical investigation based on classical MD simulation and reaction path calculations using a hybrid QM/MM potential von Chatfield, David C, P. Eurenius, Kirsten, Brooks, Bernard R

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