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Proteins|October 10, 2019
Proton relay network in P450cam formed upon docking of putidaredoxinIlke Ugur, Prasanna ChandrasekharThe Journal of Physical Chemistry. B|May 12, 2012
Initiation of the reaction of deamidation in triosephosphate isomerase: investigations by means of molecular dynamics simulationsIlke Ugur, Viktorya Aviyente, Gerald MonardBiochemistry|January 21, 2015
Why does Asn71 deamidate faster than Asn15 in the enzyme triosephosphate isomerase? Answers from microsecond molecular dynamics simulation and QM/MM free energy calculationsIlke Ugur, Antoine Marion, Viktorya Aviyente, et al.Biochimica Et Biophysica Acta|January 31, 2016
Redox-coupled substrate water reorganization in the active site of Photosystem II-The role of calcium in substrate water deliveryIlke Ugur, A William Rutherford, Ville R I KailaJournal of Molecular Modeling|June 22, 2019
Predicting the bioactive conformations of macrocycles: a molecular dynamics-based docking procedure with DynaDockIlke Ugur, Maja Schroft, Antoine Marion, et al.Journal of Chemical Information and Modeling|August 5, 2014
Rationalization of the pKa values of alcohols and thiols using atomic charge descriptors and its application to the prediction of amino acid pKa'sIlke Ugur, Antoine Marion, Stéphane Parant, et al.Plos One|October 16, 2018
Ca2+ binding induced sequential allosteric activation of sortase A: An example for ion-triggered conformational selectionIlke Ugur, Martin Schatte, Antoine Marion, et al.Biochemistry|February 8, 2018
Activity of Topotecan toward the DNA/Topoisomerase I Complex: A Theoretical RationalizationSemiha Kevser Bali, Antoine Marion, Ilke Ugur, et al.Computational and Structural Biotechnology Journal|July 23, 2020
Exploring the catalytic cascade of cembranoid biosynthesis by combination of genetic engineering and molecular simulationsPatrick Schrepfer, Ilke Ugur, Sven Klumpe, et al.Biochimica Et Biophysica Acta. Bioenergetics|March 3, 2018
The low spin - high spin equilibrium in the S<sub>2</sub>-state of the water oxidizing enzymeAlain Boussac, Ilke Ugur, Antoine Marion, et al.Pageof 2