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Anna Pabis

Molecular Dynamics Simulation of Nitrobenzene Dioxygenase Using AMBER Force Field

J. Chem. Theory Comput., (2014) 10, 2246-2254
DOI: 10.1021/ct500205z Download PDF

A New Maximum Likelihood Approach for Free Energy Profile Construction from Molecular Simulations

J. Chem. Theory Comput., (2013) 9, 153-164
DOI: 10.1021/ct300703z Download PDF