publications

2026

1. One pocket to activate them all (?): Efforts on understanding the modulator pocket in K2P channels

   Edward Mendez-Otalvaro, Wojciech Kopec, Marcus Schewe, and 1 more author

   Channels, 2026
2. Light-induced analgesia provides a drug-free optical method for pain relief via activation of TRAAK k+ channels

   Marion Bied, Arnaud Landra-Willm, Anne Amandine Chassot, and 8 more authors

   Nature Communications, 2026
3. Deep learning as a generator of sodium channel state hypotheses

   Lisa Schmidt, and Wojciech Kopec

   Journal of General Physiology, 2026

2025

1. Asymmetric nature of MscL opening revealed by molecular dynamics simulations

   Olga N Rogacheva, and Wojciech Kopec

   Journal of Chemical Information and Modeling, 2025
2. BPS2025-Charge scaling in potassium channel simulations: Conductance, ion occupancy, voltage response, and selectivity

   Chenggong Hui, Reinier Vries, Wojciech Kopec, and 1 more author

   Biophysical Journal, 2025
3. BPS2025-Calcium binding to the MthK pore affects selectivity filter occupancy

   Reinier Vries, Carl Öster, Adam Lange, and 2 more authors

   Biophysical Journal, 2025
4. Cryo-EM structure of the human THIK-1 K2P K+ channel reveals a lower Y gate regulated by lipids and anesthetics

   Karin EJ Rödström, Bisher Eymsh, Peter Proks, and 8 more authors

   Nature Structural & Molecular Biology, 2025
5. Effective polarization in potassium channel simulations: Ion conductance, occupancy, voltage response, and selectivity

   Chenggong Hui, Reinier Vries, Wojciech Kopec, and 1 more author

   Proceedings of the National Academy of Sciences, 2025
6. Lipid gating of BK channels and mechanism of activation by negatively charged lipids

   Andrei Mironenko, Bert L Groot, and Wojciech Kopec

   bioRxiv, 2025
7. Atomistic Mechanism of Calcium-Mediated Inward Rectification of the MthK Potassium Channel by Solid-State NMR and MD Simulations

   Carl Oster, Reinier De Vries, Juan Li, and 6 more authors

   Journal of the American Chemical Society, 2025

2024

1. Effect of two activators on the gating of a K2P channel

   Edward Mendez-Otalvaro, Wojciech Kopec, and Bert L Groot

   Biophysical Journal, 2024
2. Biomolecular simulations at the exascale: From drug design to organelles and beyond

   Vytautas Gapsys, Wojciech Kopec, Dirk Matthes, and 1 more author

   Current Opinion in Structural Biology, 2024
3. Selectivity filter mutations shift ion permeation mechanism in potassium channels

   Andrei Mironenko, Bert L Groot, and Kopec Wojciech

   PNAS Nexus, 2024
4. Charge scaling in potassium channel simulations: Conductance, ion occupancy, voltage response, and selectivity

   Chenggong Hui, Reinier Vries, Wojciech Kopec, and 1 more author

   bioRxiv, 2024
5. Structural Biology

   Vytautas Gapsys, Wojciech Kopec, Dirk Matthes, and 1 more author

   Current Opinion in Structural Biology, 2024

2023

1. Ab initio MD for K+ channel parameter optimization

   Chenggong Hui, Wojciech Kopec, and Bert L Groot

   Biophysical Journal, 2023
2. Pharmacological modulation of TREK-1 channel

   Edward Francisco Mendez Otalvaro, Wojciech Kopec, and Bert L Groot

   Biophysical Journal, 2023
3. The potassium-selective channel “NaK2K”: Why is it a potassium channel?

   Mohamed Shehata, Wojciech Kopec, Bert L Groot, and 1 more author

   Biophysical Journal, 2023
4. Gating transitions in the MthK potassium channel

   Reinier Vries, Wojciech Kopec, and Bert L Groot

   Biophysical Journal, 2023
5. Interactions between selectivity filter and pore helix control filter gating in the MthK channel

   Wojciech Kopec, Andrew S Thomson, Bert L Groot, and 1 more author

   Journal of General Physiology, 2023
6. Identification of metastable states of a largeconductance mechanosensitive channel (MscL) using enhanced sampling methods

   Olga Rogacheva, Tiago Costa, Andreas Hartel, and 2 more authors

   In EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS, 2023

2022

1. Direct detection of bound ammonium ions in the selectivity filter of ion channels by solid-state NMR

   Carl Oster, Kumar Tekwani Movellan, Benjamin Goold, and 7 more authors

   Journal of the American Chemical Society, 2022
2. Driving Forces underlying Selectivity Filter Gating in the MthK Potassium Channel

   Wojciech Kopec, Andrew S Thomson, Bert L Groot, and 1 more author

   bioRxiv, 2022
3. Computational electrophysiology simulations of potassium channels

   W Kopec, and B Groot

   In ACTA PHYSIOLOGICA, 2022
4. Periodic boundaries in Molecular Dynamics simulations: why do we need salt?

   Wojciech Kopec, and Vytautas Gapsys

   BioRxiv, 2022

2021

1. Current Regulation in Potassium Channels

   Wojciech Kopec, Andrei Mironenko, Ben Goold, and 1 more author

   Biophysical Journal, 2021
2. Structural basis for gating of the two-pore domain K+ (K2P) channels TASK-1 and TALK-2

   Marcus Schewe, Elena B Riel, Susanne Rinné, and 8 more authors

   Biophysical Journal, 2021
3. Conductance Mechanism of Mutant K+ Channels

   Andrei Mironenko, Bert L Groot, and Wojciech Kopec

   Biophysical Journal, 2021
4. The persistent question of potassium channel permeation mechanisms

   Andrei Mironenko, Ulrich Zachariae, Bert L Groot, and 1 more author

   Journal of Molecular Biology, 2021
5. Structural plasticity of the selectivity filter in a nonselective ion channel

   Raktim N Roy, Kitty Hendriks, Wojciech Kopec, and 6 more authors

   IUCrJ, 2021
6. Conductance mechanism in the KcsA channel with a mutant selectivity filter

   Andrei Mironenko, Bert L Groot, and Wojciech Kopec

   In EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS, 2021

2020

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

   Tobias Schubeis, Tanguy Le Marchand, Csaba Daday, and 8 more authors

   Proceedings of the National Academy of Sciences, 2020
2. Simulating Streaming Potentials in Potassium Channels

   Csaba Daday, Wojciech Kopec, and Bert L Groot

   Biophysical Journal, 2020
3. The structure of a potassium-selective ion channel reveals a hydrophobic gate regulating ion permeation

   Patricia S Langan, Venu Gopal Vandavasi, Wojciech Kopec, and 5 more authors

   IUCrJ, 2020
4. Polycation–anionic lipid membrane interactions

   Wojciech Kopec, Agata Żak, Dorota Jamróz, and 4 more authors

   Langmuir, 2020

2019

1. Conotoxin \kappaM-RIIIJ, a tool targeting asymmetric heteromeric Kv1 channels

   Sönke Cordeiro, Rocio K Finol-Urdaneta, David Köpfer, and 8 more authors

   Proceedings of the National Academy of Sciences, 2019
2. Molecular simulations of ion permeation, gating and selectivity in K+ channels

   Wojciech Kopec, and Bert L Groot

   Biophysical Journal, 2019
3. Mechanism of K+ binding and selectivity in the sodium potassium pump.

   V Dubey, W Kopec, and H Khandelia

   In Joint 12th EBSA European Biophysics Congress/10th IUPAP International Conference on Biological Physics (ICBP), 2019
4. The conduction pathway of potassium channels is water free under physiological conditions

   Carl Öster, Kitty Hendriks, Wojciech Kopec, and 7 more authors

   Science Advances, 2019
5. The’cap’structure provides an essential structural requirement for the stabilization of the K plus-flux gated open state of K2P channels.

   KS Vowinkel, S Rinné, W Kopec, and 8 more authors

   In 98th Meeting of the German Physiological Society, 2019
6. Molecular mechanism of a potassium channel gating through activation gate-selectivity filter coupling

   Wojciech Kopec, Brad S Rothberg, and Bert L Groot

   Nature communications, 2019

2018

1. The CAPOS mutation in ATP1A3 alters Na/K-ATPase function and results in auditory neuropathy which has implications for management

   Lisbeth Tranebjærg, Nicola Strenzke, Sture Lindholm, and 8 more authors

   Human genetics, 2018
2. In silico assessment of the conduction mechanism of the Ryanodine Receptor 1 reveals previously unknown exit pathways

   Leonard P Heinz, Wojciech Kopec, Bert L Groot, and 1 more author

   Scientific Reports, 2018
3. Direct knock-on of desolvated ions governs strict ion selectivity in K+ channels

   Wojciech Kopec, David A Köpfer, Owen N Vickery, and 4 more authors

   Nature chemistry, 2018
4. K+ binding and proton redistribution in the E2P state of the H+, K+-ATPase

   Vikas Dubey, Minwoo Han, Wojciech Kopec, and 3 more authors

   Scientific Reports, 2018
5. Molecular mechanism of polycation-induced pore formation in biomembranes

   Neha Awasthi, Wojciech Kopec, Natalia Wilkosz, and 6 more authors

   ACS Biomaterials Science & Engineering, 2018
6. Conotoxin M-RIIIJ, a tool targeting asymmetric heteromeric K (v) 1 channels

   S Cordeiro, RK Finol-Urdaneta, A Markushina, and 8 more authors

   2018

2017

1. Glutamate water gates in the ion binding pocket of Na+ bound Na+, K+-ATPase

   Minwoo Han, Wojciech Kopec, Ilia A Solov’yov, and 1 more author

   Scientific reports, 2017
2. Molecular Simulations of Ion Permeation in Potassium Channels

   Wojciech Kopec, and Bert Groot

   Biophysical Journal, 2017
3. Protonation Dependent Water Permeation of Ion Binding Pocket of Na+ Bound Na+, K+-ATPase

   Minwoo Han, Wojciech Kopeć, Ilia A Solov’yov, and 1 more author

   Biophysical Journal, 2017
4. Effect of polycation structure on interaction with lipid membranes

   Natalia Wilkosz, Dorota Jamróz, Wojciech Kopec, and 6 more authors

   The Journal of Physical Chemistry B, 2017

2016

1. Tuning of the Na, K-ATPase by the beta subunit

   Florian Hilbers, Wojciech Kopec, Toke Jost Isaksen, and 5 more authors

   Scientific Reports, 2016

2015

1. K+ congeners that do not compromise Na+ activation of the Na+, K+-ATPase: hydration of the ion binding cavity likely controls ion selectivity

   Yasser A Mahmmoud, Wojciech Kopec, and Himanshu Khandelia

   Journal of Biological Chemistry, 2015
2. The N terminus of sarcolipin plays an important role in uncoupling sarco-endoplasmic reticulum Ca2+-ATPase (SERCA) ATP hydrolysis from Ca2+ transport

   Sanjaya K Sahoo, Sana A Shaikh, Danesh H Sopariwala, and 5 more authors

   Journal of Biological Chemistry, 2015
3. Membrane accessibility of glutathione

   Alvaro Garcia, Nasma D Eljack, Marc-Antoine Sani, and 6 more authors

   Biochimica et Biophysica Acta (BBA)-Biomembranes, 2015
4. Molecular Simulations of the Sodium-potassium Pump in Health and Disease

   Wojciech Kopec

   2015
5. Molekylære simuleringer af natrium-kalium-pumpen

   Wojciech Kopec

   2015

2014

1. The Molecular Mechanism of Na+, K+-ATPase Malfunction in Mutations Characteristic for Adrenal Hypertension

   Wojciech Kopec, Bastien Loubet, Hanne Poulsen, and 1 more author

   Biophysical Journal, 2014
2. Reinforcing the membrane-mediated mechanism of action of the anti-tuberculosis candidate drug thioridazine with molecular simulations

   Wojciech Kopec, and Himanshu Khandelia

   Journal of computer-aided molecular design, 2014
3. Insights into the role of cyclic ladderane lipids in bacteria from computer simulations

   Vitaly V Chaban, Morten B Nielsen, Wojciech Kopec, and 1 more author

   Chemistry and physics of lipids, 2014
4. Accelerating all-atom MD simulations of lipids using a modified virtual-sites technique

   Bastien Loubet, Wojciech Kopec, and Himanshu Khandelia

   Journal of chemical theory and computation, 2014

2013

1. Molecular dynamics simulations of the interactions of medicinal plant extracts and drugs with lipid bilayer membranes

   Wojciech Kopeć, Jelena Telenius, and Himanshu Khandelia

   The FEBS journal, 2013
2. Conformations of double-headed, triple-tailed phospholipid oxidation lipid products in model membranes

   Albin Hermetter, Wojciech Kopec, and Himanshu Khandelia

   Biochimica et Biophysica Acta (BBA)-Biomembranes, 2013