Publikationen

Schroeter, C., Nelke, C., Schewe, M., Spohler, L., Herrmann, A., Müntefering, T., Huntemann, N., Kuzikov, M., Gribbon, P., Albrecht, S., Bock, S., Hundehege, P., Neelsen, L., Baukrowitz, T., Seebohm, G., Wünsch, B., Bittner, S., Ruck, T., Budde, T. & Meuth, S. (2023) Validation of TREK1 ion channel activators as an immunomodulatory and neuroprotective strategy in neuroinflammation.

Schackert, F.K., Biedermann, J., Abdolvand, S., Minniberger, S., Song, C., Plested, A.J.R., Carloni, P., Sun, H. (2023)

Minniberger, S., Abdolvand, S., Braunbeck, S., Sun, H., and Plested, A. J. R. (2023)

Yüksel, S., Bonus, M., Schwabe, T., Pfleger, C., Zimmer, T., Enke, U., Saß, I., Gohlke, H., Benndorf, K., and Kusch, J. (2022)

Front. Physiol. 13, 895324

 

Rauh, O., Opper, J., Sturm, M., Drexler, N., Scheub, D. D., Hansen, U. P., Thiel, G., and Schroeder, I. (2022)

J. Mol. Biol. 434, 167522

 

Alleva, C., Machtens, J. P., Kortzak, D., Weyand, I., and Fahlke, C. (2022)

Neurochem. Res. 47, 9

 

Sörmann, J., Schewe, M., Proks, P., Jouen-Tachoire, T., Rao, S., Riel, E.B., Agre, K.E., Begtrup, A., Dean, J., Descartes, M., Fischer, J., Gardham, A., Lahner, C., Mark, P.R., Muppidi, S., Pichurin, P.N., Porrmann, J., Schallner, J., Smit, K., Straub, V., Vasudevan, P., Willaert, R., Carpenter, E.P., Rödström, K.E.J., Hahn, M.G., Müller, T., Baukrowitz, T., Hurles, M.E., Wright, C.F., and Tucker, S.J. (2022)

Gain-of-function mutations in KCNK3 cause a developmental disorder with sleep apnea

Nat .Genet. 54, 1534–1543

Benndorf, K., Eick, T., Sattler, C., Schmauder, R., and Schulz, E. (2022)

A strategy for determining the equilibrium constants for heteromeric ion channels in a complex model

J. Gen. Physiol. 154, e202113041

Münch, J.L., Paul, F., Schmauder, R., and Benndorf, K. (2022)

Bayesian inference of kinetic schemes for ion channels by Kalman filtering

eLife 11, e62714

Kondapuram, M., Frieg, B., Yüksel, S., Schwabe, T., Sattler, C., Lelle, M., Schweinitz, A., Schmauder, R., Benndorf, K., Gohlke, H., and Kusch, J. (2022)

Functional and structural characterization of interactions between opposite subunits in HCN pacemaker channels

Commun. Biol. 5, 430

Öster, C., Movellan, K.T., Goold, B., Hendriks, K., Lange, S., Becker, S., de Groot, B.L., Kopec, W., Andreas, L.B., and Lange, A. (2022)

Gabriel, T. S., Hansen, U. P., Urban, M., Drexler, N., Winterstein, T., Rauh, O., Thiel, G., Kast, S. M., and Schroeder, I. (2021)
Asymmetric Interplay Between K+ and Blocker and Atomistic Parameters From Physiological Experiments Quantify K+ Channel Blocker Release
Front. Physiol. 12, 737834

 

Nin-Hill, A., Müller, N.P.F., Molteni, C., Rovira, C., and Alfonso-Prieto, M. (2021)

Riel, E.B., Jürs, B.C., Cordeiro, S., Musinszki, M., Schewe, M., and Baukrowitz, T. (2021)

Rizzi, A., Carloni,P., and Parrinello, M. (2021)

Targeted Free Energy Perturbation Revisited: Accurate Free Energies from Mapped Reference Potentials

J. Phys. Chem. Lett. 12, 9449−9454

Pampaloni, N.P., Riva, I., Carbone, A.L., and Plested, A.J.R. (2021)

Navarro-Retamal, C., Schott-Verdugo, S., Gohlke, H., and Dreyer, I. (2021)

Computational Analyses of the AtTPC1 (Arabidopsis Two-Pore Channel 1) Permeation Pathway

Int. J. Mol. Sci. 22, 10345

Moe-Lange, J., Gappel, N.M., Machado, M., Wudick, M.M., Sies, C.S.A, Schott-Verdugo, S.N., Bonus, M., Mishra, S., Hartwig, T., Bezrutczyk, M., Basu, D., Farmer, E.E., Gohlke, H., Malkovskiy, A., Haswell, E.S., Lercher, M.J., Ehrhardt, D.W., Frommer, W.B., and Kleist, T.J. (2021)

Interdependence of a mechanosensitive anion channel and glutamate receptors in distal wound signalling

Sci. Adv. 7, eabg4298

Mironenko, A., Zachariae, U., de Groot, B.L., and Kopec, W. (2021)

The Persistent Question of Potassium Channel Permeation Mechanisms

J. Mol. Biol. 433, 167002

Roy, R.N., Hendriks, K., Kopec, W., Abdolvand, S., Weiss, K.L., de Groot, B.L., Lange, A., Sun, H., and Coates, L. (2021)

Chiariello, M.G., Alfonso-Prieto, M., Ippoliti, E., Fahlke, C., and Carloni, P. (2021)

Mechanisms Underlying Proton Release in CLC-type F–/H+ Antiporters

J. Phys. Chem. Lett. 12, 4415-4420

Kostritskii, A.Y., Alleva, C., Cönen, S., and Machtens, J.P. (2021)

Kostritskii, A.Y., and Machtens, J.P. (2021)

Hendriks, K., Öster, C., Shi, C., Sun, H., and Lange, A. (2021)

Proks, P., Schewe,, Conrad, L.J., Rao, S., Rathje, K., Rödström, K.E.J., Carpenter, E.P., Baukrowitz, T., and Tucker, S.J. (2021)

Norfluoxetine inhibits TREK-2 K2P channels by multiple mechanisms including state-independent effects on the selectivity filter gate

J. Gen. Physiol. 153, e202012812

Chang, W.W., Matt, A.-S., Schewe, M., Musinszki, M., Grüssel, S., Brandenburg, J., Garfield, D., Bleich, M., Baukrowitz, T., and Hu, M.Y. (2021)

An otopetrin family proton channel promotes cellular acid efflux critical for biomineralization in a marine calcifier

Proc. Natl. Acad. Sci. USA 118, e2101378118

Schirmeyer,, Hummert, S., Eick, T., Schulz, E., Schwabe, T., Ehrlich, G., Kukaj, T., Wiegand, M., Sattler, C., Schmauder, R., Zimmer, T., Kosmalla, N., Münch, J., Bonus, M., Gohlke, H., and Benndorf, K. (2021)

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. USA 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