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Modeling a Liquid Leaf Target Experiment
Repository of the simulation scripts and calculated model for the mentioned publication. Refer to the readme.md for further information. -
The role of water in host-guest interaction
One of the main applications of atomistic computer simulations is the calculation of ligand binding free energies. The accuracy of these calculations depends on the force field... -
Generated Patient Data for ARDS Model Training
Patient data that was populated as follows: The statistical distribution of curated data from the MIMIC-III dataset. Data based on these distributions was generated for 19...