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Solid-state NMR Reveals Asymmetric ATP hydrolysis in the Multidrug ABC Transporter BmrA
2022 ChemRxiv preprint Medicine Drug Transport and Resistance Mechanisms Open access

Denis Lacabanne, Thomas Wiegand, Margot Di Cesare, Cédric Orelle, Matthias Ernst, Jean‐Michel Jault, +2 more

23

citations
Influence of Pore Size on Carbon Dioxide Diffusion in Two Isoreticular Metal–Organic Frameworks
2020 ChemRxiv preprint Chemistry Metal-Organic Frameworks: Synthesis and Applications Open access

Alexander C. Forse, Kristen A. Colwell, Miguel I. Gonzalez, Stefan Benders, Rodolfo M. Torres-Gavosto, Bernhard Blümich, +2 more

21

citations
Summit: Benchmarking Machine Learning Methods for Reaction Optimisation
2020 ChemRxiv preprint Materials Science Machine Learning in Materials Science Open access

Kobi Felton, Jan G. Rittig, Alexei A. Lapkin

17

citations
DrugEx v3: Scaffold-Constrained Drug Design with Graph Transformer-based Reinforcement Learning
2021 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access

Xuhan Liu, Kai Ye, Herman van Vlijmen, Adriaan P. IJzerman, Gerard J. P. van Westen

11

citations
The Use of Copper and Vanadium Mineral Ores in Catalyzed Mechanochemical Carbon–carbon Bond Formations
2020 ChemRxiv preprint Chemistry Radical Photochemical Reactions Open access

Francesco Puccetti, Christian Schumacher, Hermann Wotruba, José G. Hernández, Carsten Bolm

10

citations
Atomate2: Modular workflows for materials science
2025 ChemRxiv preprint Materials Science Machine Learning in Materials Science Open access

Alex M. Ganose, Hrushikesh P. Sahasrabuddhe, Mark Asta, Tathagata Biswas, Alexander Bonkowski, Joana Bustamante, +46 more

8

citations
Papyrus - A large scale curated dataset aimed at bioactivity predictions
2021 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access

Olivier J. M. Béquignon, Brandon J. Bongers, Willem Jespers, Adriaan P. IJzerman, Bob van de Water, Gerard J. P. van Westen

8

citations
Photoinduced cobalt catalysis for the reductive coupling of pyridines and dienes enabled by paired single-electron transfer
2023 ChemRxiv preprint Chemistry Radical Photochemical Reactions Open access

Jingyang Qin, Manuel Barday, Samikshan Jana, Nil Sanosa, Ignacio Funes‐Ardoiz, Christopher J. Teskey

7

citations
The Minimum Information about a Tailoring Enzyme/Maturase data standard for capturing natural product biosynthesis
2024 ChemRxiv preprint Medicine Microbial Natural Products and Biosynthesis Open access

Mitja M. Zdouc, David Meijer, Friederike Biermann, Jonathan E Holme, Aleksandra E. Korenskaia, Annette Lien, +15 more

7

citations
ML-SAFT: A machine learning framework for PCP-SAFT parameter prediction
2023 ChemRxiv preprint Engineering Phase Equilibria and Thermodynamics Open access

Kobi Felton, Lukas Rasßpe-Lange, Jan G. Rittig, Kai O. Leonhard, Alexander Mitsos, Julian Meyer‐Kirschner, +2 more

6

citations
Pyrene and Bipyridine-based Covalent Triazine Framework as Versatile Platform for Photocatalytic Solar Fuels Production
2023 ChemRxiv preprint Materials Science Covalent Organic Framework Applications Open access

Marcelo A. Fávaro, Jin Yang, Daniel Ditz, Hüseyin Küçükkeçeci, Mohammed H. Alkhurisi, Sebastian Bergwinkl, +5 more

6

citations
High throughput mass spectrometry assay for early chick gender determination: less than 3s total analysis time per sample.
2023 ChemRxiv preprint Chemistry Mass Spectrometry Techniques and Applications Open access

Nicolas Drouin, Chang Liu, David M. Cox, J. Bryce Young, Serge Desmoulins, Kelly Hoogkamer, +8 more

6

citations
Step-by-step : A microfluidic (PDMS) staircase device for size sorting microparticles down to 25 µm using a 3D-printed mold
2023 ChemRxiv preprint Engineering Microfluidic and Capillary Electrophoresis Applications Open access

Aldrik H. Velders, Lisette van Lieshout, Erik A. T. Brienen, Benedict Diederich, Vittorio Saggiomo

6

citations
Multi-fidelity graph neural networks for predicting toluene/water partition coefficients
2024 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access

Thomas Nevolianis, Jan G. Rittig, Alexander Mitsos, Kai O. Leonhard

5

citations
Prospective consequential Life Cycle Assessment:Identifying the future marginal suppliers using Integrated Assessment Models
2023 ChemRxiv preprint Environmental Science Environmental Impact and Sustainability Open access

Ben Maes, Romain Sacchi, Bernhard R.P. Steubing, Massimo Pizzol, Amaryllis Audenaert, Bart Craeye, +1 more

5

citations
Anomeric Triflates vs Dioxanium ions: Different Product-Forming Intermediates from 1-Thiophenyl-2-O-Benzyl-3-O-Benzoyl-4,6-O-Benzylidene-Mannose and Glucose
2023 ChemRxiv preprint Chemistry Carbohydrate Chemistry and Synthesis Open access

Wouter A. Remmerswaal, Hidde Elferink, Kas J. Houthuijs, Floor ter Braak, Giel Berden, Stefan van der Vorm, +5 more

5

citations
Kekulene: On-Surface Synthesis, Orbital Structure, and Aromatic Stabilization
2020 ChemRxiv preprint Chemistry Synthesis and Properties of Aromatic Compounds Open access

Anja Haags, Alexander Reichmann, Qitang Fan, Larissa Egger, Hans Kirschner, Tobias Vollgraff, +14 more

4

citations
Results of a Three-Year Survey on the Implementation of Research Data Management and the Electronic Laboratory Notebook (ELN) Chemotion in an Advanced Inorganic Lab Course
2023 ChemRxiv preprint Computer Science Research Data Management Practices Open access

Fabian Fink, Alexander Hoffmann, Sonja Herres‐Pawlis

4

citations
Enhancing FAIRdata by providing digital workflows from data generation to the publication of data: an open source approach described for cyclic voltammetry
2023 ChemRxiv preprint Computer Science Research Data Management Practices Open access

David Herrmann, Patrick Hodapp, Martin Starman, Pei‐Chi Huang, Chia‐Lin Lin, Jochen Klar, +13 more

4

citations
How (Carbon) Negative Is Direct Air Capture? Life Cycle Assessment of an Industrial Temperature-Vacuum Swing Adsorption Process
2020 ChemRxiv preprint Engineering Carbon Dioxide Capture Technologies Open access

Sarah Deutz, André Bardow

4

citations
Summit: Benchmarking Machine Learning Methods for Reaction Optimisation
2020 ChemRxiv preprint Materials Science Machine Learning in Materials Science Open access

Kobi Felton, Jan G. Rittig, Alexei A. Lapkin

4

citations
Summit: Benchmarking Machine Learning Methods for Reaction Optimisation
2020 ChemRxiv preprint Materials Science Machine Learning in Materials Science Open access

Kobi Felton, Jan G. Rittig, Alexei A. Lapkin

4

citations
Mechanism of calcium permeation in a glutamate receptor ion channel
2022 ChemRxiv preprint Neuroscience Neuroscience and Neuropharmacology Research Open access

Florian Karl Schackert, Johann Biedermann, Saeid Abdolvand, Sonja Minniberger, Chen Song, Andrew J.R. Plested, +2 more

4

citations
Thermal stability and coalescence dynamics of exsolved metal nanoparticles at charged perovskite surfaces
2023 ChemRxiv preprint Materials Science Advancements in Solid Oxide Fuel Cells Open access

Moritz Lukas Weber, Dylan Jennings, Sarah Fearn, Andrea Cavallaro, Alexander Gutsche, Lisa Heymann, +13 more

4

citations
Finding non-fluorinated alternatives to fluorinated gases used as refrigerants
2024 ChemRxiv preprint Engineering Refrigeration and Air Conditioning Technologies Open access

Juliane Glüge, Katharina Breuer, Armin Hafner, Christian Vering, Dirk Müller, Ian T. Cousins, +3 more

4

citations