Agarwal, V.* ; Linser, R.* ; Dasari, M. ; Fink, U.* ; Lopez del Amo, J.M. ; Reif, B.
Hydrogen bonding involving side chain exchangeable groups stabilizes amyloid quarternary structure.
Phys. Chem. Chem. Phys. 15, 12551-12557 (2013)
Asami, S. ; Rakwalska-Bange, M.* ; Carlomagno, T.* ; Reif, B.
Protein-RNA interfaces probed by 1H-detected MAS solid-state NMR spectroscopy.
Angew. Chem.-Int. Edit. 52, 2345-2349 (2013)
Asami, S. ; Reif, B.
Proton-detected solid-state NMR spectroscopy at aliphatic sites: Application to crystalline systems.
Acc. Chem. Res. 46, 2089-2097 (2013)
Bista, M.* ; Wolf, S.* ; Khoury, K.* ; Kowalska, K.* ; Huang, Y.* ; Wrona, E.* ; Arciniega, M.* ; Popowicz, G.M.* ; Holak, T.A.* ; Dömling, A.*
Transient protein states in designing inhibitors of the MDM2-p53 interaction.
Structure 21, 2143-2151 (2013)
Brandmaier, S. ; Novotarskyi, S.* ; Sushko, I.* ; Tetko, I.V.
From descriptors to predicted properties: Experimental design by using applicability domain estimation.
ATLA-Altern. Lab. Anim. 41, 33-47 (2013)
Brandmaier, S. ; Tetko, I.V.
Robustness in experimental design: A study on the reliability of selection approaches.
Comp. Struc. Biotech. J. 7:e201305002 (2013)
Cassani, S.* ; Kovarich, S.* ; Papa, E.* ; Roy, P.P.* ; Rahmberg, M.* ; Nilsson, S.* ; Sahlin, U.* ; Jeliazkova, N.* ; Kochev, N.* ; Pukalov, O.* ; Tetko, I.V. ; Brandmaier, S. ; Durjava, M.K.* ; Kolar, B.* ; Peijnenburg, W.* ; Gramatica, P.*
Evaluation of CADASTER QSAR models for the aquatic toxicity of (benzo)triazoles and prioritisation by consensus prediction.
ATLA-Altern. Lab. Anim. 41, 49-64 (2013)
Dallmann, A. ; Simon, B.* ; Duszczyk, M.M. ; Kooshapur, H. ; Pardi, A.* ; Bermel, W.* ; Sattler, M.
Efficient detection of hydrogen bonds in dynamic regions of RNA by sensitivity-optimized NMR pulse sequences.
Angew. Chem.-Int. Edit. 52, 10487-10490 (2013)
Garg, D. ; Beribisky, A.V. ; Ponterini, G.* ; Ligabue, A.* ; Marverti, G.* ; Martello, A.* ; Costi, M.P.* ; Sattler, M. ; Wade, R.C.*
Translational repression of thymidylate synthase by targeting its mRNA.
Nucleic Acids Res. 41, 4159-4170 (2013)
Gräber, M.* ; Hell, M.* ; Grost, C.* ; Friberg, A. ; Sperl, B.* ; Sattler, M. ; Berg, T.*
Oral disinfectants inhibit protein-protein interactions mediated by the anti-apoptotic protein Bcl-xL and induce apoptosis in human oral tumor cells.
Angew. Chem.-Int. Edit. 52, 4487-4491 (2013)
Hennig, J. ; Wang, I. ; Sonntag, M. ; Gabel, F.* ; Sattler, M.
Combining NMR and small angle X-ray and neutron scattering in the structural analysis of a ternary protein-RNA complex.
J. Biomol. NMR 56, 17-30 (2013)
Heym, R.G. ; Zimmermann, D.* ; Edelmann, F. ; Israel, L.* ; Ökten, Z.* ; Kovar, D.R.* ; Niessing, D.
In vitro reconstitution of an mRNA-transport complex reveals mechanisms of assembly and motor activation.
J. Cell Biol. 203, 971-984 (2013)
Hocking, H.G. ; Zangger, K.* ; Madl, T.
Studying the structure and dynamics of biomolecules by using soluble paramagnetic probes.
ChemPhysChem 14, 3082-3094 (2013)
Jacso, T. ; Bardiaux, B.* ; Broecker, J.* ; Fiedler, S.* ; Baerwinkel, T. ; Mainz, A.* ; Fink, U.* ; Vargas, C.* ; Oschkinat, H.* ; Keller, S.* ; Reif, B.
The mechanism of denaturation and the unfolded state of the α-helical membrane-associated protein Mistic.
J. Am. Chem. Soc. 135, 18884-18891 (2013)
Kadam, R.U.* ; Garg, D. ; Schwartz, J.* ; Visini, R.* ; Sattler, M. ; Stocker, A.* ; Darbre, T.* ; Reymond, J.L.*
CH-π "T-shape" interaction with histidine explains binding of aromatic galactosides to Pseudomonas aeruginosa lectin LecA.
ACS Chem. Biol. 8, 1925-1930 (2013)
Kadam, R.U.* ; Bergmann, M.* ; Garg, D. ; Gabrieli, G.* ; Stocker, A.* ; Darbre, T.* ; Reymond, J.L.*
Structure-based optimization of the terminal tripeptide in glycopeptide dendrimer inhibitors of Pseudomonas aeruginosa biofilms targeting LecA.
Chem. Eur. J. 19, 17054-17063 (2013)
Kang, C.B.* ; Ye, H.* ; Chia, J.* ; Choi, B.H.* ; Dhe-Paganon, S.* ; Simon, B.* ; Schütz, U. ; Sattler, M. ; Yoon, H.S.*
Functional role of the flexible N-terminal extension of FKBP38 in catalysis.
Sci. Rep. 3:2985 (2013)
Kateb, F. ; Perrin, H.* ; Tripsianes, K. ; Zou, P. ; Spadaccini, R.* ; Bottomley, M.* ; Franzmann, T.M.* ; Buchner, J.* ; Ansieau, S.* ; Sattler, M.
Structural and functional analysis of the DEAF-1 and BS69 MYND domains.
PLoS ONE 8:e54715 (2013)
Lopez del Amo, J.M. ; Schneider, D.* ; Loquet, A.* ; Lange, A.* ; Reif, B.
Cryogenic solid state NMR studies of fibrils of the Alzheimer's disease amyloid-β peptide: Perspectives for DNP.
J. Biomol. NMR 56, 359-363 (2013)
Mainz, A. ; Religa, T.L.* ; Sprangers, R.* ; Linser, R.* ; Kay, L.E.* ; Reif, B.
NMR spectroscopy of soluble protein complexes at one mega-dalton and beyond.
Angew. Chem.-Int. Edit. 52, 8746-8751 (2013)
Martel, S.* ; Gillerat, F.* ; Carosati, E.* ; Maiarelli, D.* ; Tetko, I.V. ; Mannhold, R.* ; Carrupt, P.A.*
Large, chemically diverse dataset of logP measurements for benchmarking studies.
Eur. J. Pharm. Sci. 48, 21-29 (2013)
Müller, R.* ; Gräwert, M.A.* ; Kern, T. ; Madl, T. ; Peschek, J.* ; Sattler, M. ; Groll, M.* ; Buchner, J.*
High-resolution structures of the IgM Fc domains reveal principles of its hexamer formation.
Proc. Natl. Acad. Sci. U.S.A. 110, 10183-10188 (2013)
Niedner, A. ; Müller, M. ; Moorthy, B.T.* ; Jansen, R.-P.* ; Niessing, D.
Role of Loc1p in assembly and reorganization of nuclear ASH1 messenger ribonucleoprotein particles in yeast.
Proc. Natl. Acad. Sci. U.S.A. 110, E5049–E5058 (2013)
Novotarskyi, S.* ; Sushko, I.* ; Körner, R.* ; Tetko, I.V.
Chemogenomic approach to increase accuracy of QSAR modeling of inhibition activity against five major P450 isoforms.
Poster: (2013)
Oprisiu, I. ; Novotarskyi, S.* ; Tetko, I.V.
Modeling of non-additive mixture properties using the Online CHEmical database and Modeling environment (OCHEM).
J. Cheminformatics 5:4 (2013)
Peijnenburg, W.J.* ; Tetko, I.V.
Exemplification of the implementation of alternatives to experimental testing in chemical risk assessment - case studies from the CADASTER Project. Preface.
ATLA-Altern. Lab. Anim. 41, 13-17 (2013)
Pfaff, J. ; Meister, G.*
Argonaute and GW182 proteins: An effective alliance in gene silencing.
Biochem. Soc. Trans. 41, 855-860 (2013)
Pfaff, J. ; Hennig, J. ; Herzog, F.* ; Aebersold, R.* ; Sattler, M. ; Niessing, D. ; Meister, G.*
Structural features of Argonaute–GW182 protein interactions.
Proc. Natl. Acad. Sci. U.S.A. 110, 3770-3779 (2013)
Pfaff, J.
Structural interplay of key factors in the human microRNA pathway.
München, Ludwig-Maximilians-Universität, Fakultät für Chemie und Pharmazie, Diss., 2013, 109 S.
Potukuchi, H.K. ; Bach, T.*
Selective C-2 alkylation of tryptophan by a Pd(II)/norbornene-promoted C-H activation reaction.
J. Org. Chem. 78, 12263-12267 (2013)
Priglinger, C.S.* ; Szober, C.M.* ; Priglinger, S.G.* ; Merl, J. ; Euler, K.N.* ; Kernt, M.* ; Gondi, G. ; Behler, J. ; Geerlof, A. ; Kampik, A.* ; Ueffing, M. ; Hauck, S.M.
Galectin-3 induces clustering of CD147 and integrin-β1 transmembrane glycoprotein receptors on the RPE cell surface.
PLoS ONE 8:e70011 (2013)
Reinhard, L.* ; Mayerhofer, H.* ; Geerlof, A. ; Müller-Dieckmann, J.* ; Weiss, M.S.*
Optimization of protein buffer cocktails using Thermofluor.
Acta Crystallogr. F-Struct. Biol. Cryst. Commun. 69, 209-214 (2013)
Schorpp, K.K. ; Rothenaigner, I. ; Salmina, E. ; Reinshagen, J.* ; Low, T.* ; Brenke, J.K. ; Gopalakrishnan, J.* ; Tetko, I.V. ; Gul, S.* ; Hadian, K.
Identification of small-molecule frequent hitters from AlphaScreen high-throughput screens.
J. Biomol. Screen. 19, 715-726 (2013)
Tetko, I.V. ; Sopasakis, P. ; Kunwar, P. ; Brandmaier, S. ; Novoratskyi, S.* ; Charochkina, L.* ; Prokopenko, V.* ; Peijnenburg, W.J.*
Prioritisation of Polybrominated Diphenyl Ethers (PBDEs) by using the QSPR-THESAURUS web tool.
ATLA-Altern. Lab. Anim. 41, 127-135 (2013)
Tetko, I.V. ; Novotarskyi, S.* ; Sushko, I.* ; Ivanov, V.* ; Petrenko, A.E.* ; Dieden, R.* ; Lebon, F.* ; Mathieu, B.*
Development of dimethyl sulfoxide solubility models using 163 000 molecules: Using a domain applicability metric to select more reliable predictions.
J. Chem. Inf. Model. 53, 1990-2000 (2013)
van der Schot, G.* ; Zhang, Z.* ; Vernon, R.* ; Shen, Y.* ; Vranken, W.F.* ; Baker, D.* ; Bonvin, A.M.* ; Lange, O.F.
Improving 3D structure prediction from chemical shift data.
J. Biomol. NMR 57, 27-35 (2013)
Velvarska, H. ; Niessing, D.
Purification, crystallization and preliminary crystallographic analysis of the globular domain of the human type V myosin Myo5a.
Acta Crystallogr. F-Struct. Biol. Cryst. Commun. 69, 1220-1223 (2013)
Velvarska, H. ; Niessing, D.
Structural insights into the globular tails of the human type V myosins Myo5a, Myo5b, and Myo5c.
PLoS ONE 8:e82065 (2013)
Vernon, R.* ; Shen, Y.* ; Baker, D.* ; Lange, O.F.
Improved chemical shift based fragment selection for CS-Rosetta using Rosetta3 fragment picker.
J. Biomol. NMR 57, 117-127 (2013)
Vogel, K.U. ; Edelmann, S.L. ; Jeltsch, K. ; Bertossi, A.* ; Heger, K.* ; Heinz, G.A. ; Zöller, J. ; Warth, S.C. ; Hoefig, K.P. ; Lohs, C. ; Neff, F. ; Kremmer, E. ; Schick, J. ; Repsilber, D.* ; Geerlof, A. ; Blum, H.* ; Wurst, W. ; Heikenwälder, M. ; Schmidt-Supprian, M.* ; Heissmeyer, V.
Roquin paralogs 1 and 2 redundantly repress the Icos and Ox40 costimulator mRNAs and control follicular helper T cell differentiation.
Immunity 38, 655-668 (2013)
Walcher, T. ; Xie, Q.* ; Sun, J.* ; Irmler, M. ; Beckers, J. ; Öztürk, T. ; Niessing, D. ; Stoykova, A.* ; Cvekl, A.* ; Ninkovic, J. ; Götz, M.-L.
Functional dissection of the paired domain of Pax6 reveals molecular mechanisms of coordinating neurogenesis and proliferation.
Development 140, 1123-1136 (2013)
Zeitler, B. ; Bernhard, A. ; Meyer, H. ; Sattler, M. ; Koop, H.-U.* ; Lindermayr, C.
Production of a de-novo designed antimicrobial peptide in Nicotiana benthamiana.
Plant Mol. Biol. 81, 259-272 (2013)
Zeitler, B. ; Diaz, A.H. ; Dangel, A. ; Thellmann, M. ; Meyer, H. ; Sattler, M. ; Lindermayr, C.
De-novo design of antimicrobial peptides for plant protection.
PLoS ONE 8:e71687 (2013)
Zhang, Y.
Structural studies on cooperative 3’ splice site recognition by the SF1-U2AF65 complex.
München, Technische Universität, Fakultät für Chemie, Diss., 2013, 140 S.
Zhang, Y.-Y. ; Madl, T. ; Bagdiul, I.* ; Kern, T. ; Kang, H.-S. ; Zou, P. ; Mäusbacher, N.* ; Sieber, S.A.* ; Krämer, A.* ; Sattler, M.
Structure, phosphorylation and U2AF65 binding of the N-terminal domain of splicing factor 1 during 3'-splice site recognition.
Nucleic Acids Res. 41, 1343-1354 (2013)
Zhang, Z.* ; Lange, O.F.
Replica exchange improves sampling in low-resolution docking stage of RosettaDock.
PLoS ONE 8:e72096 (2013)