Dr. Frank Beierlein



Organisationseinheit


Computer-Chemie-Centrum


Publikationen (Download BibTeX)

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Daum, S., Toms, J., Reshetnikov, V., Özkan, H., Hampel, F., Maschauer, S.,... Mokhir, A. (2019). Identification of Boronic Acid Derivatives as an Active Form of N-Alkylaminoferrocene-Based Anticancer Prodrugs and Their Radiolabeling with 18F. Bioconjugate Chemistry, 30(4), 1077-1086. https://dx.doi.org/10.1021/acs.bioconjchem.9b00019
Beierlein, F., Paradas Palomo, M., Sharapa, D., Zozulia, O., Mokhir, A., & Clark, T. (2016). DNA-Dye-Conjugates: Conformations and Spectra of Fluorescence Probes. Plos One, 11(7), e0160229. https://dx.doi.org/10.1371/journal.pone.0160229
Beierlein, F., Clark, T., Braunschweig, B., Engelhardt, K., Glas, L., & Peukert, W. (2015). Carboxylate Ion Pairing with Alkali-Metal Ions for β-Lactoglobulin and Its Role on Aggregation and Interfacial Adsorption. Journal of Physical Chemistry B, 119(17), 5505-5517. https://dx.doi.org/10.1021/acs.jpcb.5b01944
Beierlein, F., Krause, A., Jäger, C., Fita, P., Vauthey, E., & Clark, T. (2013). Molecular Dynamics Simulations of Liquid Phase Interfaces: Understanding the Structure of the Glycerol/Water–Dodecane System. Langmuir, 29(38), 11898--11907. https://dx.doi.org/10.1021/la4021355
Ozpinar, G.A., Beierlein, F., Peukert, W., Zahn, D., & Clark, T. (2012). A test of improved force field parameters for urea: molecular-dynamics simulations of urea crystals. Journal of Molecular Modeling, 18(8), 3455--3466. https://dx.doi.org/10.1007/s00894-011-1336-5
Beierlein, F., Michel, J., & Essex, J. (2011). A Simple QM/MM Approach for Capturing Polarization Effects in Protein-Ligand Binding Free Energy Calculations. Journal of Physical Chemistry B, 115, 4911-4926. https://dx.doi.org/10.1021/jp109054j
Beierlein, F., Kneale, G.G., & Clark, T. (2011). Predicting the Effects of Basepair Mutations in DNA-Protein Complexes by Thermodynamic Integration. Biophysical Journal, 101, 1130--1138. https://dx.doi.org/10.1016/j.bpj.2011.07.003
Seidel, U., Othersen, O., Lanig, H., Beierlein, F., & Clark, T. (2007). Molecular Dynamics Characterization of the Structures and Induction Mechanisms of a Reverse Phenotype of the Tetracycline Receptor. Journal of Physical Chemistry B, 111(21), 6006-6014. https://dx.doi.org/10.1021/jp0674468
Lanig, H., Othersen, O., Beierlein, F., Seidel, U., & Clark, T. (2006). Molecular dynamics simulations of the tetracycline-repressor protein: The mechanism of induction. Journal of Molecular Biology, 359(4), 1125-1136. https://dx.doi.org/10.1016/j.jmb.2006.04.014
Beierlein, F., Othersen, O., Lanig, H., Schneider, S., & Clark, T. (2006). Simulating FRET from tryptophan: Is the rotamer model correct? Journal of the American Chemical Society, 128(15), 5142-5152. https://dx.doi.org/10.1021/ja058414l

Zuletzt aktualisiert 2016-20-05 um 05:04