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When Data Are Lacking: Physics-Based Inverse Design of Biopolymers Interacting with Complex, Fluid Phases2024 Journal of Chemical Theory and Computation article Biochemistry, Genetics and Molecular Biology Protein Structure and Dynamics Open access
Jeroen Methorst, Niek van Hilten, Art Hoti, Kai Steffen Stroh, Herre Jelger Risselada
10citations -
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 -
Recommendation: Towards design of drugs and delivery systems with the Martini coarse-grained model — R0/PR42022 peer-review 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
0citations -
Review: Towards design of drugs and delivery systems with the Martini coarse-grained model — R0/PR22022 peer-review 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
0citations -
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 -
Review: Towards design of drugs and delivery systems with the Martini coarse-grained model — R0/PR12022 peer-review 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
0citations -
Recommendation: Towards design of drugs and delivery systems with the Martini coarse-grained model — R1/PR52022 peer-review 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
0citations -
Raw data associated with the manuscript: Interactions of POPC liposomes with graphene investigated by quartz crystal microbalance and all-atom molecular dynamics2026 Zenodo (CERN European Organization for Nuclear Research) dataset Biochemistry, Genetics and Molecular Biology Lipid Membrane Structure and Behavior Open access
Thomas J. F. Kock, Christine Visser, Ankush Singhal, Lars J. C. Jeuken, G. J. A. Sevink, Alexander Kros, +1 more
0citations