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DNET: A Graph-Based Tool and Workflow for Dynamic Hydrogen-Bond Networks and Applications for Visual Rhodopsins2026 Journal of Chemical Theory and Computation article Biochemistry, Genetics and Molecular Biology Receptor Mechanisms and Signaling
Éva Bertalan, Matthew J. Rodrigues, Gebhard F. X. Schertler, Bondar Ana-Nicoleta
2citations -
Conserved Asp233–Asp246 hydrogen bond modulates active site dynamics in class A β ‐lactamases2026 Protein Science article Biochemistry, Genetics and Molecular Biology Antibiotic Resistance in Bacteria Open access
Cristina Valverde López-Gallego, Monika Timmer, Jocelyne Vreede, Marcellus Ubbink
0citations -
Hydrogen-Bonding and Hydrophobic Interaction Networks as Structural Determinants of Microbial Rhodopsin Function2024 The Journal of Physical Chemistry B article Neuroscience Photoreceptor and optogenetics research
Éva Bertalan, Masae Konno, Marı́a del Carmen Marı́n, Reza Bagherzadeh, Takashi Nagata, Leonid S. Brown, +2 more
8citations -
Graph‐based algorithms to dissect long‐distance water‐mediated H‐bond networks for conformational couplings in GPCRs2024 British Journal of Pharmacology article Biochemistry, Genetics and Molecular Biology Receptor Mechanisms and Signaling Open access
Éva Bertalan, Matthew J. Rodrigues, Gebhard F. X. Schertler, Ana‐Nicoleta Bondar
14citations -
From Jekyll to Hyde and Beyond: Hydrogen’s Multifaceted Role in Passivation, H-Induced Breakdown, and Charging of Amorphous Silicon Nitride2024 The Journal of Physical Chemistry Letters article Engineering Semiconductor materials and devices Open access cited by 1 patent
Jonathon P. Cottom, Lukas Hückmann, Emilia Olsson, Jörg Meyer
17citations -
CO 2 ‐to‐CO Electrochemical Conversion With an Fe(I) Porphyrin Complex in Water2026 Angewandte Chemie International Edition article Energy CO2 Reduction Techniques and Catalysts Open access
Andrew Howe, Aude Salamé, Ulysse Garnier, Marc A. Robert, Elodie Anxolabéhère‐Mallart, Mun Hon Cheah
1citations -
Probing the Electric Double-Layer Capacitance to Understand the Reaction Environment in Conditions of Electrochemical Amination of Acetone2025 ACS Applied Materials & Interfaces article Energy Electrocatalysts for Energy Conversion Open access
Yani Guan, Justus Kümper, Simran Kumari, Nick Heiming, Sonja D. Mürtz, Stephan N. Steinmann, +3 more
13citations -
The Sphingosine and Phytosphingosine Ceramide Ratio in Lipid Models Forming the Short Periodicity Phase: An Experimental and Molecular Simulation Study2024 Langmuir article Biochemistry, Genetics and Molecular Biology Lipid Membrane Structure and Behavior Open access
Andreea Nădăban, Chloe O. Frame, Dounia El Yachioui, Gerrit S. Gooris, Robert M. Dalgliesh, Marc Malfois, +4 more
13citations -
An Exploration in the Potential Substance Basis and Mechanism of Chuanxiong Rhizoma and Angelicae Dahuricae Radix on Analgesia Based on Network Pharmacology and Molecular Docking2021 World Journal of Traditional Chinese Medicine article Medicine Traditional Chinese Medicine Analysis Open access
Tingting Zhao, Rui-Rui Lan, Shang-Dong Liang, Günther Schmalzing, Hongwei Gao, Alexei Verkhratsky, +2 more
8citations -
Deprotonating Melamine to Gain Highly Interconnected Materials: Melaminate Salts of Potassium and Rubidium2021 Inorganic Chemistry article Chemistry Synthesis and characterization of novel inorganic/organometallic compounds
Arno L. Görne, Tanja Scholz, Dietmar Kobertz, Richard Dronskowski
12citations -
Molecular basis of ligand binding and receptor activation at the human A3 adenosine receptor2025 Nature Communications article Biochemistry, Genetics and Molecular Biology Adenosine and Purinergic Signaling Open access
Liudi Zhang, Jesse I. Mobbs, Felix M. Bennetts, Hariprasad Venugopal, Anh T. N. Nguyen, Arthur Christopoulos, +5 more
7citations -
Covalent Benzenesulfonic Functionalization of a Graphene Nanopore for Enhanced and Selective Proton Transport2024 The Journal of Physical Chemistry C article Engineering Nanopore and Nanochannel Transport Studies Open access
Dario Calvani, Bas Kreupeling, G. J. A. Sevink, Huub J. M. de Groot, Grégory F. Schneider, Francesco Buda
5citations -
The molecular arrangement of ceramides in the unit cell of the long periodicity phase of stratum corneum models shows a high adaptability to different ceramide head group structures2024 Biochimica et Biophysica Acta (BBA) - Biomembranes article Biochemistry, Genetics and Molecular Biology Lipid Membrane Structure and Behavior Open access
Andreea Nădăban, Gerrit S. Gooris, Charlotte M. Beddoes, Robert M. Dalgliesh, Marc Malfois, Bruno Demé, +1 more
3citations -
Infrared Irradiation of H2O:CO2 Ice: A Combined Experimental and Computational Study of the Dissipation of CO2 Vibrational Excitations2025 ACS Earth and Space Chemistry article Physics and Astronomy Spectroscopy and Quantum Chemical Studies Open access
Johanna G. M. Schrauwen, Tobias M. Dijkhuis, S. Ioppolo, Daria Ruth Galimberti, Britta Redlich, H. M. Cuppen
2citations -
Highly Ordered, Self‐Assembled Monolayers of a Spin‐Crossover Complex with In‐Plane Interactions2021 European Journal of Inorganic Chemistry article Engineering Surface Chemistry and Catalysis Open access
Sipeng Zheng, Silvia J. Spa, Erik P. van Geest, Jan M. van Ruitenbeek, Sylvestre A. Bonnet
0citations