Drug Discovery Partnerships
We focus on preclinical drug discovery where we aim to accelerate discovery and reduce experimental costs. We develop and use molecular dynamics simulations and machine learning.
- An in-house GPU cluster so that your data will not leave our facilities.
- 100% carbon-neutral electricity sources
- Strong know-how on computer simulations and machine learning. See our publications in top-tier journals.
- Proven collaborations with pharmaceutical companies.
- We work with established CROs to deliver experimentially validated molecules.
- 9.4/10 rating in Science Exchange.
Binding affinity prediction with machine learning
Predict protein-ligand binding affinity with proven accuracy.
Our propietary predictors (KDEEP, DeltaDelta, BindScope) have been published in peer-reviewed journals and validated in data from top pharmaceutical companies. Furthermore, KDEEP won two blind subchallenges of the D3R Grand Challenge 4 and it is now used daily in a large pharma company to perform their predictions.