Karmen Condic-Jurkic
Title
Cited by
Cited by
Year
Structure of a lipid A phosphoethanolamine transferase suggests how conformational changes govern substrate binding
A Anandan, GL Evans, K Condic-Jurkic, ML O’Mara, CM John, NJ Phillips, ...
Proceedings of the National Academy of Sciences 114 (9), 2218-2223, 2017
862017
Structural and dynamic perspectives on the promiscuous transport activity of P-glycoprotein
N Subramanian, K Condic-Jurkic, ML O’Mara
Neurochemistry international 98, 146-152, 2016
342016
Simple design of an enzyme-inspired supported catalyst based on a catalytic triad
MD Nothling, A Ganesan, K Condic-Jurkic, E Pressly, A Davalos, ...
Chem 2 (5), 732-745, 2017
272017
Identification of possible binding sites for morphine and nicardipine on the multidrug transporter P-glycoprotein using umbrella sampling techniques
N Subramanian, K Condic-Jurkic, AE Mark, ML O’Mara
Journal of chemical information and modeling 55 (6), 1202-1217, 2015
272015
Rv2074 is a novel F420H2‐dependent biliverdin reductase in Mycobacterium tuberculosis
FH Ahmed, AE Mohamed, PD Carr, BM Lee, K Condic‐Jurkic, ML O'Mara, ...
Protein Science 25 (9), 1692-1709, 2016
222016
The reliability of molecular dynamics simulations of the multidrug transporter P-glycoprotein in a membrane environment
K Condic-Jurkic, N Subramanian, AE Mark, ML O’Mara
PloS one 13 (1), e0191882, 2018
202018
The protonation states of the active-site histidines in (6–4) photolyase
K Condic-Jurkic, AS Smith, H Zipse, DM Smith
Journal of chemical theory and computation 8 (3), 1078-1091, 2012
192012
Calculation of the CD spectrum of a peptide from its conformational phase space: the case of Met-enkephalin and its unnatural analogue
Z Brkljaca, K Condic-Jurkic, AS Smith, DM Smith
Journal of chemical theory and computation 8 (5), 1694-1705, 2012
142012
Sharing data from molecular simulations
M Abraham, R Apostolov, J Barnoud, P Bauer, C Blau, AMJJ Bonvin, ...
Journal of chemical information and modeling 59 (10), 4093-4099, 2019
132019
On the modeling of arginine‐bound carboxylates: A case study with Pyruvate Formate‐Lyase
K Čondić‐Jurkić, VT Perchyonok, H Zipse, DM Smith
Journal of computational chemistry 29 (14), 2425-2433, 2008
112008
Hydrophobic Shielding Drives Catalysis of Hydride Transfer in a Family of F420H2-Dependent Enzymes
AE Mohamed, K Condic-Jurkic, FH Ahmed, P Yuan, ML O’Mara, ...
Biochemistry 55 (49), 6908-6918, 2016
102016
A compound QM/MM procedure: Comparative performance on a pyruvate formate‐lyase model system
K Condic‐Jurkic, H Zipse, DM Smith
Journal of computational chemistry 31 (5), 1024-1035, 2010
52010
Exploring Reactive Conformations of Coenzyme A during Binding and Unbinding to Pyruvate Formate–Lyase
M Hanževački, RD Banhatti, K Čondić-Jurkić, AS Smith, DM Smith
The Journal of Physical Chemistry A 123 (43), 9345-9356, 2019
12019
The Influence of Chemical Change on Protein Dynamics: A Case Study with Pyruvate Formate‐Lyase
M Hanževački, K Čondić‐Jurkić, RD Banhatti, AS Smith, DM Smith
Chemistry–A European Journal 25 (37), 8741-8753, 2019
12019
The Influence of Acetylation in the Active Site on Enzyme Dynamics in Pyruvate Formate-Lyase
M Hanževački, K Čondić-Jurkić, RD Banhatti, AS Smith, DM Smith
Computational modeling of glycyl radical enzymes: Novel insights to the …, 2020
2020
Front Cover: The Influence of Chemical Change on Protein Dynamics: A Case Study with Pyruvate Formate‐Lyase (Chem. Eur. J. 37/2019)
M Hanževački, K Čondić‐Jurkić, RD Banhatti, AS Smith, DM Smith
Chemistry–A European Journal 25 (37), 8649-8649, 2019
2019
MDbox: a cloud-based repository for molecular dynamics simulations
K Condic-Jurkic, M Gregson
EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS 46, S273-S273, 2017
2017
Insights into the operations of a promiscuous drug trafficker: The story of P-glycoprotein
K Condic-Jurkic, N Subramanian, AE Mark, M O'Mara
European Biophysics Journal with Biophysics Letters 44, S164-S164, 2015
2015
Strategies in the Computational Modelling of Biological Systems: Case Studies with Radical Enzymes
K Condic-Jurkic
Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU), 2013
2013
Free Energy Landscape for Entrance Pathway of CoA into the Active Site of Pyruvate-Formate Lyase
K Čondić-Jurkić, AS Smith, DM Smith
Verhandlungen der Deutschen Physikalischen Gesellschaft, 2012
2012
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Articles 1–20