| Year |
Citation |
Score |
| 2019 |
Kemker I, Schnepel C, Schröder DCC, Marion A, Sewald N. Cyclization of RGD peptides by Suzuki-Miyaura cross-coupling. Journal of Medicinal Chemistry. PMID 31306009 DOI: 10.1021/Acs.Jmedchem.9B00360 |
0.347 |
|
| 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 |
0.702 |
|
| 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 |
0.732 |
|
| 2019 |
Schröder DC, Kracker O, Fröhr T, Góra J, Jewginski M, Nieß A, Antes I, Latajka R, Marion A, Sewald N. 1,4-Disubstituted 1-1,2,3-Triazole Containing Peptidotriazolamers: A New Class of Peptidomimetics With Interesting Foldamer Properties. Frontiers in Chemistry. 7: 155. PMID 30972322 DOI: 10.3389/Fchem.2019.00155 |
0.391 |
|
| 2019 |
Aykent G, Zeytun C, Marion A, Özçubukçu S. Simple Tyrosine Derivatives Act as Low Molecular Weight Organogelators. Scientific Reports. 9: 4893. PMID 30894585 DOI: 10.1038/S41598-019-41142-Z |
0.361 |
|
| 2018 |
Marion A, Gokcan H, Monard G. SemiEmpirical Born-Oppenheimer Molecular Dynamics (SEBOMD) Within the Amber Biomolecular Package. Journal of Chemical Information and Modeling. PMID 30433776 DOI: 10.1021/Acs.Jcim.8B00605 |
0.681 |
|
| 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 |
0.711 |
|
| 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 |
0.702 |
|
| 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 |
0.692 |
|
| 2018 |
Antes I, Marion A, Zheng C, Melse O. Accurate Prediction of Protein-Ligand Binding by Combined Molecular Dynamics-Based Docking and QM/MM Methods Biophysical Journal. 114: 42a. DOI: 10.1016/J.Bpj.2017.11.282 |
0.383 |
|
| 2017 |
Kracker O, Góra J, Krzciuk-Gula J, Marion A, Neumann B, Stammler HG, Nieß A, Antes I, Latajka R, Sewald N. 1,5-Disubstituted 1,2,3-Triazole-Containing Peptidotriazolamers: Design Principles for a Class of Versatile Peptidomimetics. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 29160605 DOI: 10.1002/Chem.201704583 |
0.308 |
|
| 2017 |
Marion A, Góra J, Kracker O, Fröhr T, Latajka R, Sewald N, Antes I. Amber compatible parameterization procedure for peptide-like compounds: application to 1,4- and 1,5-substituted triazole-based peptidomimetics. Journal of Chemical Information and Modeling. PMID 29112399 DOI: 10.1021/Acs.Jcim.7B00305 |
0.373 |
|
| 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 |
0.709 |
|
| 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 |
0.687 |
|
| 2014 |
Marion A, Monard G, Ruiz-López MF, Ingrosso F. Water interactions with hydrophobic groups: assessment and recalibration of semiempirical molecular orbital methods. The Journal of Chemical Physics. 141: 034106. PMID 25053300 DOI: 10.1063/1.4886655 |
0.65 |
|
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