On the modeling of arginine-bound carboxylates: A case study with Pyruvate Formate-Lyase. - Karmen Condic-Jurkic; V. Tamara Perchyonok; Hendrik Zipse; David M. Smith (J. Comput. Chem., 2008)

A compound QM/MM procedure: Comparative performance on a pyruvate formate-lyase model system. - Karmen Condic-Jurkic; Hendrik Zipse; David M. Smith (J. Comput. Chem., 2010)

Identification of Possible Binding Sites for Morphine and Nicardipine on the Multidrug Transporter P-Glycoprotein Using Umbrella Sampling Techniques. - Nandhitha Subramanian; Karmen Condic-Jurkic; Alan E. Mark; Megan L. O'Mara (J. Chem. Inf. Model., 2015)

Sharing Data from Molecular Simulations. - Mark James Abraham; Rossen Apostolov; Jonathan Barnoud; Paul Bauer; Christian Blau; Alexandre M. J. J. Bonvin; Matthieu Chavent; John D. Chodera; Karmen Condic-Jurkic; Lucie Delemotte; Helmut Grubmüller; Rebecca J. Howard; et al. (J. Chem. Inf. Model., 2019)