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CGCompiler: Automated Coarse-Grained Molecule Parametrization via Noise-Resistant Mixed-Variable Optimization2023 Journal of Chemical Theory and Computation article Chemistry Advanced Physical and Chemical Molecular Interactions Open access
Kai Steffen Stroh, Paulo C. T. Souza, Luca Monticelli, Herre Jelger Risselada
17citations -
Hall viscosity and hydrodynamic inverse Nernst effect in graphene2023 Physical review. B./Physical review. B article Physics and Astronomy Quantum and electron transport phenomena Open access
Zhuo-Yu Xian, Sven Danz, David Rodríguez Fernández, Ioannis Matthaiakakis, Christian Tutschku, Raffael L. Klees, +3 more
6citations -
Towards design of drugs and delivery systems with the Martini coarse-grained model2022 QRB Discovery article Biochemistry, Genetics and Molecular Biology Protein Structure and Dynamics Open access
Lisbeth R. Kjølbye, Gilberto P. Pereira, Alessio Bartocci, Martina Pannuzzo, Simone Albani, Alessandro Marchetto, +7 more
43citations -
Ligand Pose Predictions for Human G Protein-Coupled Receptors: Insights from the Amber-Based Hybrid Molecular Mechanics/Coarse-Grained Approach2020 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods
Ksenia Korshunova, Zeineb Si Chaib, Alejandro Giorgetti, Mercedes Alfonso‐Prieto, Paolo Carloni
16citations -
Impact of Phosphorylation on the Physiological Form of Human alpha-Synuclein in Aqueous Solution2024 Journal of Chemical Information and Modeling article Medicine Parkinson's Disease Mechanisms and Treatments Open access
Emile De Bruyn, Anton Emil Dorn, Giulia Rossetti, Claudio O. Fernández, Tiago F. Outeiro, Jörg Bernhard Schulz, +1 more
12citations -
Calorimetric Signature of Deuterated Ice II: Turning an Endotherm to an Exotherm2020 The Journal of Physical Chemistry Letters article Earth and Planetary Sciences nanoparticles nucleation surface interactions Open access
Violeta Fuentes-Landete, Soroush Rasti, Robert Schlögl, Jörg Meyer, Thomas Loerting
4citations -
Euclid preparation - LXII. Simulations and non-linearities beyond Lambda cold dark matter. 1. Numerical methods and validation2024 MPG.PuRe (Max Planck Society) article Physics and Astronomy Cosmology and Gravitation Theories Open access
Euclid Collaboration, J. Adamek, B. Fiorini, M. Baldi, G. Brando, M.-A. Breton, +94 more
0citations -
Moltemplate: A Tool for Coarse-Grained Modeling of Complex Biological Matter and Soft Condensed Matter Physics2021 Journal of Molecular Biology article Biochemistry, Genetics and Molecular Biology Protein Structure and Dynamics Open access
Andrew I. Jewett, David Stelter, Jason Lambert, Shyam M. Saladi, Otello Maria Roscioni, Matteo Ricci, +8 more
543citations -
Probing the pinning strength of magnetic vortex cores with sub-nanometer resolution2020 Nature Communications article Physics and Astronomy Magnetic properties of thin films Open access
Christian Holl, Marvin Knol, Marco Pratzer, Jonathan Chico, Imara Lima Fernandes, Samir Lounis, +1 more
29citations -
A rate-dependent damage mechanics model for predicting plasticity and ductile fracture behavior of sheet metals at high strain rates2024 Engineering Fracture Mechanics article Materials Science High-Velocity Impact and Material Behavior Open access
Chongyang Zeng, Xiangfan Fang, Niloufar Habibi, Sebastian Münstermann, Junhe Lian
21citations -
Feature Based Investigation of the Forming Behavior of Titanium Grade 1 for Bipolar Plate Manufacturing2026 Diffusion and defect data, solid state data. Part B, Solid state phenomena/Solid state phenomena article Engineering Metal Forming Simulation Techniques Open access
Jan Sommer, Lars Uhlmann, Max Meerkamp, Tim Herrig, Thomas Bergs
0citations -
Mechanical compaction mechanisms in the input sediments of the Sumatra subduction complex – insights from microstructural analysis of cores from IODP Expedition 3622022 Solid Earth article Earth and Planetary Sciences Geological formations and processes Open access
Sivaji Lahiri, Kitty Lou Milliken, Peter J. Vrolijk, Guillaume Desbois, Janos Lajos Urai
6citations