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- et al.
- 2022
- ACS Spring 2022
Conference paper
Publications
3555 results for Materials Discovery
Identification of enzymatic active sites with unsupervised language modelling
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- Matteo Manica
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- 2022
- ACS Spring 2022
Conference paperActive site sequence representation of human kinases outperforms full sequence for affinity prediction and inhibitor generation: 3D effects in a 1D model
- Jannis Born
- Tien Huynh
- et al.
- 2022
- ACS Spring 2022
Poster3 + 3 makes the ring
- Diego Peña
- Leo Gross
- 2022
- Nat. Synth.
PaperSignatures of sluggish dynamics and local structural ordering during ice nucleation
- Fausto Martelli
- Jeremy Palmer
- 2022
- The Journal of Chemical Physics
PaperSimulating supercritical carbon dioxide flow and trapping in microscopic rock pore networks
- Mathias Steiner
- Jaione Tirapu Azpiroz
- et al.
- 2022
- APS March Meeting 2022
Short paperThe role of partial charges in data-driven analytics of gas adsorption simulations
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- Rodrigo Neumann Barros Ferreira
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- 2022
- APS March Meeting 2022
Short paperCurrent state of Embedding techniques for Quantum Computing
- Barbara Jones
- 2022
- APS March Meeting 2022
Conference paperComputational Design and Validation of Polymer Membranes with high CO2 Permeability
- Hsianghan Hsu
- Ronaldo Giro
- et al.
- 2022
- APS March Meeting 2022
Conference paperSingle-mode emission from a topological lattice with distributed gain and dielectric medium
- M. Scherrer
- Seonyeong Kim
- et al.
- 2022
- OFC 2022
Conference paper