Publikationen

Pfleger, C., Kusch, J., Kondapuram, M., Schwabe, T., Sattler, C., Benndorf, K, and Gohlke, H. (2021)

Allosteric signaling in C-linker and cyclic nucleotide-binding domain of HCN2 channels

Biophys. J. 120, 950-963

Biedermann, J., Braunbeck, S., Plested, A.J.R., and Sun, H. (2021)

Nonselective cation permeation in an AMPA-type glutamate receptor

Proc. Nat. Acad. Sci. 118, e2012843118

Alleva, C., Machtens, J.-P., Kortzak, D., Weyand, I., and Fahlke, C. (2021)

Molecular basis of coupled transport and anion conduction in excitatory amino acid transporters

Neurochem. Res., https://doi.org/10.1007/s11064-021-03252-x

Winterstein, L.M., Kukovetz, K., Hansen, U.P., Schroeder, I., Van Etten, J.L., Moroni, A., Thiel, G., and Rauh, O. (2021)

Alleva, C., Kovalev, K., Astashkin, R., Berndt, M.I., Baeken, C., Balandin, T., Gordeliy, V., Fahlke, C., and Machtens, J.P. (2020)

Na+-dependent gate dynamics and electrostatic attraction ensure substrate coupling in glutamate transporters

Sci. Adv. 6, eaba9854

Sattler, C., Eick, T., Hummert, S., Schulz, E., Schmauder, R., Schweinitz, A., Unzeitig, C., Schwede, F., and Benndorf, K. (2020)

Kolen, B., Kortzak, D., Franzen, A., and Fahlke, C. (2020)

An amino-terminal point mutation increases EAAT2 anion currents without affecting glutamarte transport rates

J. Biol. Chem. 295, 14936-14947

Rühlmann, A.H., Körner, J., Hausmann, R., Bebrivenski, N., Neuhof, C., Detro-Dassen, S., Hautvast, P., Benasolo, C.A., Meents, J., Machtens, J.P., Schmalzing, G., and Lampert, A. (2020)

Uncoupling sodium channel dimers restores the phenotype of a pain-linked Nav1.7 channel mutation

Br. J. Pharmacol. 177, 4481-4496

Kopec, W., Żak, A., Jamróz, D., Nakahata, R., Yusa, S.I., Gapsys, V., and Kepczynski, M. (2020)

Polycation-anionic lipid membrane interactions

Langmuir 36, 12435-12450

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

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)

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

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)

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

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)

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)

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

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

Biophys. J. 116, 2411-2422

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)

Biallelic mutation of human SLC6A6 encoding the taurine transporter TAUT is linked to early retinal degeneration

FASEB J. 25, fj201900914RR

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

PACKMOL-Memgen: A Simple-To-Use, Generalized Workflow for Membrane-Protein-Lipid-Bilayer System Building

J. Chem. Inf. Model. 59, 2522-2528

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

Identification of kinetic order parameters for non-equilibrium dynamics

J. Chem. Phys. 150, 164120

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

Extreme scalability of DFT-based QM/MM MD simulations using MiMiC

J. Chem. Theory Comput. 15, 5601-5613

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

J. Phys. Chem. Letters 10, 3495-3499

Olsen, J.M.H., Bolnykh V., Meloni, S., Ippoliti, E., Bircher, M. P., Carloni, P., and Rothlisberger, U. (2019)
MiMiC: A Novel Framework for Multiscale Modeling in Computational Chemistry
J. Chem. Theory Comput. 15, 3810-3823

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)

Körner, J., Meents, J., Machtens, J.-P., and Lampert, A. (2018)

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)

Biophysical. J. 113, 1