Group members
- Group Leader
- Computational Toxicology
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- Machine Learning Methods for Predicting Phospholipidosis
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- Machine Learning Methods to predict Protein-ligand binding affinity
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Former group members
- Prediction of molecular properties (solubility, absorption, toxicology)
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- Banned substances
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- Enzyme Reaction Mechanisms
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- Enzyme Simulations
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- Modelling the Solubility of Pharmaceutical Materials
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- QSAR Models
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- Polymer Informatics
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- Enzyme Reaction Mechanisms
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- Study of structure and energy of crystal lattice
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- Visiting Scientist
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- Protein-Ligand Interactions
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- Studies of Molecular Interactions and Aggregates
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- Enzyme Reaction Mechanisms
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- Knowledge-Based Potentials for Virtual Screening
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