Dioclea Labs

Founded in 2022 by Darko Mitrovic, Dioclea Labs is a Stockholm-based company operating at the intersection of biotechnology and artificial intelligence. The firm has developed a technology platform for rational drug discovery that integrates evolutionary data and biophysics through advanced machine learning. This approach allows the company to model biological phenomena from the atomistic scale upwards, enabling the prediction of large-scale experimental observables while maintaining the detailed resolution necessary for effective drug design. The platform is designed to rapidly estimate Free Energy surfaces, which provide a comprehensive view of a protein's functional states, including cryptic pockets and population shifts in response to ligand binding, a process that can be completed in under a week.

Dioclea Labs serves the pharmaceutical and biotech industries by offering several specialized services. These include the identification and mapping of functional protein states for early drug discovery, AI-driven generation of novel compounds by analyzing binding site complementarity, and in-silico screening of compounds for cross-reactivity against multiple targets. The company employs a B2B model and can deliver its technology as a pre-configured system using a modified GROMACS suite, allowing clients to screen proprietary compounds internally without sharing sensitive information. In April 2024, Dioclea Labs secured its first equity funding of SEK1.2M from Sutjagin Capital.

Keywords: rational drug discovery, AI drug discovery, machine learning, biophysics, computational chemistry, protein-ligand interactions, allostery analysis, in-silico screening, molecular dynamics, free energy surfaces, conformational states, cryptic pockets, GROMACS, techbio, atomistic modeling, evolutionary algorithms, compound generation, cross-reactivity, drug design, biotechnology