| Year |
Citation |
Score |
| 2020 |
Schrepfer P, Ugur I, Klumpe S, Loll B, Kaila VRI, Brück T. Exploring the catalytic cascade of cembranoid biosynthesis by combination of genetic engineering and molecular simulations. Computational and Structural Biotechnology Journal. 18: 1819-1829. PMID 32695274 DOI: 10.1016/J.Csbj.2020.06.030 |
0.32 |
|
| 2019 |
Wang S, Crevenna AH, Ugur I, Marion A, Antes I, Kazmaier U, Hoyer M, Lamb DC, Gegenfurtner F, Kliesmete Z, Ziegenhain C, Enard W, Vollmar A, Zahler S. Actin stabilizing compounds show specific biological effects due to their binding mode. Scientific Reports. 9: 9731. PMID 31278311 DOI: 10.1038/S41598-019-46282-W |
0.662 |
|
| 2019 |
Ugur I, Schroft M, Marion A, Glaser M, Antes I. Predicting the bioactive conformations of macrocycles: a molecular dynamics-based docking procedure with DynaDock. Journal of Molecular Modeling. 25: 197. PMID 31222506 DOI: 10.1007/S00894-019-4077-5 |
0.684 |
|
| 2018 |
Ugur I, Schatte M, Marion A, Glaser M, Boenitz-Dulat M, Antes I. Ca2+ binding induced sequential allosteric activation of sortase A: An example for ion-triggered conformational selection. Plos One. 13: e0205057. PMID 30321208 DOI: 10.1371/Journal.Pone.0205057 |
0.676 |
|
| 2018 |
Boussac A, Ugur I, Marion A, Sugiura M, Kaila VRI, Rutherford AW. The low spin - high spin equilibrium in the S-state of the water oxidizing enzyme. Biochimica Et Biophysica Acta. 1859: 342-356. PMID 29499187 DOI: 10.1016/J.Bbabio.2018.02.010 |
0.666 |
|
| 2018 |
Bali SK, Marion A, Ugur I, Dikmenli AK, Catak S, Aviyente V. Activity of Topotecan towards the DNA/TopoI Complex: A Theoretical Rationalization. Biochemistry. PMID 29412654 DOI: 10.1021/Acs.Biochem.7B01297 |
0.677 |
|
| 2016 |
Ugur I, Rutherford AW, Kaila VR. Redox-coupled substrate water reorganization in the active site of Photosystem II-The role of calcium in substrate water delivery. Biochimica Et Biophysica Acta. 1857: 740-748. PMID 26826591 DOI: 10.1016/J.Bbabio.2016.01.015 |
0.324 |
|
| 2015 |
Ugur I, Marion A, Aviyente V, Monard G. Why does Asn71 deamidate faster than Asn15 in the enzyme triosephosphate isomerase? Answers from microsecond molecular dynamics simulation and QM/MM free energy calculations. Biochemistry. 54: 1429-39. PMID 25602614 DOI: 10.1021/Bi5008047 |
0.691 |
|
| 2015 |
Ince HH, Konuklar FAS, Ugur I, Ozcan A, Sayadi M, Feig M, Aviyente V. Role of the n+1 amino acid residue on the deamidation of asparagine in pentapeptides Molecular Physics. DOI: 10.1080/00268976.2015.1068394 |
0.394 |
|
| 2014 |
Ugur I, Marion A, Parant S, Jensen JH, Monard G. Rationalization of the pKa values of alcohols and thiols using atomic charge descriptors and its application to the prediction of amino acid pKa's. Journal of Chemical Information and Modeling. 54: 2200-13. PMID 25089727 DOI: 10.1021/Ci500079W |
0.664 |
|
| 2013 |
Dedeoğlu B, Uğur İ, Değirmenci İ, Aviyente V, Barçın B, Çaylı G, Acar HY. First RAFT polymerization of captodative 2-acetamidoacrylic acid (AAA) monomer: An experimental and theoretical study Polymer. 54: 5122-5132. DOI: 10.1016/J.Polymer.2013.07.028 |
0.344 |
|
| 2012 |
Ugur I, Aviyente V, Monard G. Initiation of the reaction of deamidation in triosephosphate isomerase: investigations by means of molecular dynamics simulations. The Journal of Physical Chemistry. B. 116: 6288-301. PMID 22574817 DOI: 10.1021/Jp3013305 |
0.674 |
|
| 2009 |
Uğur I, De Vleeschouwer F, Tüzün N, Aviyente V, Geerlings P, Liu S, Ayers PW, De Proft F. Cyclopolymerization reactions of diallyl monomers: exploring electronic and steric effects using DFT reactivity indices. The Journal of Physical Chemistry. A. 113: 8704-11. PMID 19719316 DOI: 10.1021/Jp903371B |
0.302 |
|
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