DeepSelect is a novel hybrid framework for the small molecule drug discovery process, it helps to assess the right molecules to take forward into development and reduce time to market.
The framework combines deep learning and physics-based performance models.
Drug protein interaction
Target protein structure prediction
Physicochemical properties prediction
On demand cloud based solution
High-performance computing systems
Design, Modeling and Characterization of Bio-Nanorobotic Systems focuses, mainly on two approaches. The first one involves multiscale modeling tools (quantum mechanics, molecular dynamics, continuum mechanics) coupled to virtual reality advanced techniques. In order to design and evaluate the characteristics of molecular robots, we proposed interactive nanophysics-based simulation which permits manipulation of molecules, proteins and engineered materials in molecular dynamics simulations with real-time force feedback and graphical display. The second approach uses a novel co-prototyping methodology, where the nanorobotic’s multiscale model is coupled to experimental measurements.