Karmen Condic-Jurkic
TitleCited byYear
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
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
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
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
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
Calculation of the CD spectrum of a peptide from its conformational phase space: the case of Met-enkephalin and its unnatural analogue
Z Brkljača, K Condic-Jurkic, AS Smith, DM Smith
Journal of chemical theory and computation 8 (5), 1694-1705, 2012
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
The reliability of molecular dynamics simulations of the multidrug transporter P-glycoprotein in a membrane environment
K Condic-Jurkic, AEM Nandhitha Subramanian, ML O’Mara
PloS one 13 (1), 2018
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
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
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
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
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
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
MDbox: a cloud-based repository for molecular dynamics simulations
K Condic-Jurkic, M Gregson
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
Potential Coupling of Chemical and Conformational Changes in Pyruvate Formate-Lyase During the Catalysis
K Čondić-Jurkić, AS Smith, DM Smith
Summer School" Fundamental Problems in Statistical Physics", 2013
Strategies in the Computational Modelling of Biological Systems: Case Studies with Radical Enzymes
K Condic-Jurkic
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
The Protonation States of Histidines in the Active Site of (6-4) Photolyase
K Čondić-Jurkić, AS Smith, H Zipse, DM Smith
Ninth Triennial Congress of The World Association of Theoretical and …, 2011
The system can't perform the operation now. Try again later.
Articles 1–20