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Journal Articles
- 2019
[j4]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, E. Joseph Jordan, Erik Lindahl, Samuli Ollila, Jana Selent, Daniel G. A. Smith, Phillip J. Stansfeld, Johanna K. S. Tiemann, Mikaël Trellet, Christopher J. Woods, Artem A. Zhmurov:
Sharing Data from Molecular Simulations. J. Chem. Inf. Model. 59(10): 4093-4099 (2019)- 2015
- [j3]Nandhitha Subramanian, Karmen Condic-Jurkic, Alan E. Mark, Megan L. O'Mara:
Identification of Possible Binding Sites for Morphine and Nicardipine on the Multidrug Transporter P-Glycoprotein Using Umbrella Sampling Techniques. J. Chem. Inf. Model. 55(6): 1202-1217 (2015) - 2010
- [j2]Karmen Condic-Jurkic, Hendrik Zipse, David M. Smith:
A compound QM/MM procedure: Comparative performance on a pyruvate formate-lyase model system. J. Comput. Chem. 31(5): 1024-1035 (2010) - 2008
- [j1]Karmen Condic-Jurkic, V. Tamara Perchyonok, Hendrik Zipse, David M. Smith:
On the modeling of arginine-bound carboxylates: A case study with Pyruvate Formate-Lyase. J. Comput. Chem. 29(14): 2425-2433 (2008)
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