Publications

Langan, P.S., Vandavasi, V.G., Kopec, W., Sullivan, B., Afonne, P.V., Weiss, K.L., de Groot, B.L. and Coates, L. (2020)

The structure of a potassium-selective ion channel reveals a hydrophobic gate regulating ion permeation

IUCrJ 7, 835-843

Schubeis, T., Le Marchand, T., Daday, C., Kopec, W., Movellan, K.T., Stanek, J., Schwarzer, T.S., Castiglione, K., de Groot, B.L., Pintacuda, G., and Andreas, L.B. (2020)

A β-barrel for oil transport through lipid membranes: Dynamic NMR structures of AlkL

Proc. Nat. Acad. Sci. 117, 21014-2102

Bolnykh, V., Rothlisberger, U., and Carloni, P. (2020)

Isr. J. Chem. 60, 694-704

 

Lelle, M., Otte, M., Bonus, M., Gohlke, H., and Benndorf, K. (2020)

Fluorophore‐Labeled Cyclic Nucleotides as Potent Agonists of Cyclic Nucleotide‐Regulated Ion Channels

ChemBioChem 21, 1-11

Alberione, M.A., Moeller, R., Kirui, J., Ginkel, C., Doepke, M., Ströh, L.J., Machtens, J.P., Pietschmann, T., and Gerold, G. (2020)

Single-nucleotide variants in human CD81 influence hepatitis C virus infection of hepatoma cells

Med. Microbiol. Immunol. 22, 1-16

Bolnykh, V., Olsen, J.M.H., Meloni, S., Bircher, M.P., Ippoliti, E., Carloni, P., and Rothlisberger, U. (2020)

MiMiC: Multiscale Modeling in Computational Chemistry

Front. Mol. Biosci. 7, 45

Chiariello, M.G., Bolnykh, V., Ippoliti, E., Meloni, S., Olsen, J.M.H, Beck, T., Rothlisberger, U., Fahlke, C., and Carloni, P. (2020)

Wifling, D., Pfleger, C., Kaindl, J., Ibrahim, P, Kling, R.C., Buschauer, A., Gohlke, H., and Clark, T. (2019)

Basal histamine H4 receptor activation: Agonist mimicry by the diphenylalanine motif

Chem. Eur. J. 25, 14613-14624

Nematian-Ardestani, E., Abd-Wahab, F., Chatelain, F.C., Sun, H., Schewe, M., Baukrowitz, T., and Tucker, S.J. (2020)

Selectivity filter instability dominates the low intrinsic activity of the TWIK-1 K2P K+ channel

J. Biol. Chem. 295, 610-618

Leypold, T., Bonus, M., Spiegelhalter, F., Schwede, f., Schwabe, T., Gohlke, H., and Kusch, J. (2019)

N6-modified cAMP derivatives that activate protein kinase A also act as full agonists of murine HCN2 channels

J. Biol. Chem. 294, 17978-17987

Bratanov, D., Kovalev, K., Machtens, J. P., Astashkin, R., Chizhov, I., Soloviov, D., Volkov, D., Polovinkin, V., Zabelskii, D., Mager, T., Gushchin, I., Rokitskaya, T., Antonenko, Y., Alekseev, A., Shevchenko, V., Yutin, N., Rosselli, R., Baeken, C., Borshchevskiy, V., Bourenkov, G., Popov, A., Balandin, T., Büldt, G., Manstein, D. J., Rodriguez-Valera, F., Fahlke, C., Bamberg, E., Koonin, E., and Gordeliy, V. (2019)

Unique structure and function of viral rhodopsins

Nat. Commun. 10, 4939

Kopec, W., Rothberg, B.S., and de groot, B.L. (2019)

Molecular mechanism of a potassium channel gating through activation gate-selectivity filter coupling

Nat. Commun. 10, 5366

Kortzak, D., Alleva, C., Weyand, I., Ewers, D., Zimmermann, M. I., Franzen, A., Machtens, J. P., and Fahlke, C. (2019)

Allosteric gate modulation confers K+ coupling in glutamate transporters

EMBO J. 38, e101468

Bonomi, M., Bussi, G., Camilloni, C., Tribello, G. A., Banáš, P., Barducci, A., Bernetti, M., Bolhuis, P. G., Bottaro, S., Branduardi, D., Capelli, R., Carloni, P., Ceriotti, M., Cesari, A., Chen, H., Chen, W., Colizzi, F., De, S., De La Pierre, M., Donadio, D., Drobot, V., Ensing, B., Ferguson, A. L., Filizola, M., Fraser, J. S., Fu, H., Gasparotto, P., Gervasio, F. L., Giberti, F., Gil-Ley, A., Giorgino, T., Heller, G. T., Hocky, G. M., Iannuzzi, M., Invernizzi, M., Jelfs, K. E., Jussupow, A., Kirilin, E., Laio, A., Limongelli, V., Lindorff-Larsen, K., Löhr, T., Marinelli, F., Martin-Samos, L., Masetti, M., Meyer, R., Michaelides, A., Molteni, C., Morishita, T., Nava, M., Paissoni, C., Papaleo, E., Parrinello, M., Pfaendtner, J., Piaggi, P., Piccini, G.M., Pietropaolo, A., Pietrucci, F., Pipolo, S., Provasi, D., Quigley, D., Raiteri, P., Raniolo, S., Rydzewski, J., Salvalaglio, M., Sosso, G. C., Spiwok, V., Šponer, J., Swenson, D. W. H., Tiwary, P., Valsson, O., Vendruscolo, M., Voth, G. A., and White, A. (2019)

Promote Transparency and Reproducibility in Enhanced Molecular Simulations
Nat. Methods 16, 670–673

Öster, C., Hendriks, K., Kopec, W., Chevelkov, V., Shi, C., Michl, D., Lange, S., Sun, H., de Groot, B. L., and Lange, A. (2019)

The conduction pathway of potassium channels is water free under physiological conditions

Sci. Adv. 5, eaaw6756

Otte, M., Schweinitz, A., Lelle, M., Thon, S., Enke, U., Yüksel, S., Schmauder, R., Bonus, M., Gohlke, H., and Benndorf, K. (2019) Novel fluorescent cyclic nucleotide derivatives to study CNG and HCN channel function

Preising, M. N., Görg, B., Friedburg, C., Qvartskhava, N., Budde, B. S., Bonus, M., Toliat, M. R., Pfleger, C., Altmüller, J., Herebian, D., Beyer, M., Zöllner, H. J., Wittsack, H. J., Schaper, J., Klee, D., Zechner, U., Nürnberg, P., Schipper, J., Schnitzler, A., Gohlke, H., Lorenz, B., Häussinger, D., and Bolz, H. J. (2019)

Schott-Verdugo, S., and Gohlke, H. (2019)

Paul, F., Wu, H., Vossel, M., de Groot, B. L., and Noé, F. (2019)

Bolnykh, V., Olsen, J. M.H., Meloni, S., Bircher, M. P., Ippoliti, E., Carloni, P., and Rothlisberger, U. (2019)

Capelli, R., Carloni, P., and Parrinello, M. (2019)

Schewe, M., Sun, H., Mert, Ü., Mackenzie, A., Pike, A. C. W., Schulz, F., Constantin, C., Vowinkel, K. S., Conrad, L. J., Kiper, A. K., Gonzalez, W., Musinszki, M., Tegtmeier, M., Pryde, D. C., Belabed, H., Nazare, M., de Groot, B. L., Decher, N., Fakler, B., Carpenter, E. P., Tucker, S. J., and Baukrowitz, T. (2019)

Sunkara, M. R., Schwabe, T., Ehrlich, G., Kusch, J., and Benndorf, K. (2018)

Kopec, W., Köpfer, D.A., Vickery, O.N., Bondarenko, A.S., Jansen, T.L.C., de Groot, B.L. and Zachariae, U. (2018)

Heinz, L.P., Kopec, W., de Groot, B.L., and Fink, R.A.H. (2018)

Hummert, S., Thon, S., Eick, T., Schmauder, R., Schulz, E., and Benndorf, K. (2018)

Shi, C., He, Y., Hendriks, K., de Groot, B.L., Cai, X., Tian, C., Lange, A., and Sun, H. (2018)

Mardt, A., Pasquali, L., Wu, H., and Noé, F. (2018)

Pfleger, C., Minges, A., Boehm, M., McClendon, C. L., Torella, R., and Gohlke, H. (2017)

Riva, I., Eibl, C., Volkmer, R., Carbone, A. L., and Plested, A. J. R. (2017)

Zhang, W., Eibl, C., Weeks, A. M., Riva, I., li, Y., Plested, A. J. R. Plested, and Howe, J. R. (2017)