Our Approach

Our Technologies

Proteus takes a targeted approach to genetically linked diseases, leveraging a portfolio of technologies that we have internally developed or have assembled from our strategic partners. We combine cutting edge computational tools and proven experimental techniques in a tightly integrated drug discovery process that leads to pre-clinical drug candidates with therapeutic impact and target selectivity.  With a highly parallel data driven approach, iterations can be achieved rapidly using high-performance computing resources and virtual screening algorithms, thereby reducing the bottlenecks typically associated with structure-based drug design.

Our key advantage is the tight integration between the accurate high-throughput computational tools, rapid iterations of experimental feedback, and an expert team of scientists who have established track records in both computational and experimental drug discovery efforts.  Some of those core technologies are listed below.


WaterMap

The importance of water molecules in protein binding is widely known, but most computational tools do not rigorously account for the impact water plays in molecular dynamics…


Ensemble Docking

Structure-based virtual screening is a powerful approach in the search for inhibitors against a protein target. Even with significant computational resources, there is a tradeoff between speed and accuracy…


Molecular Dynamics

“Everything that living things do can be understood in terms of the jiggling and wiggling of atoms,” said Richard Feynman in his seminal 1963 Lectures on Physics…


MM-GB/SA & Free Energy Perturbation

The accurate estimation of binding affinity is a powerful way to drive drug discovery faster and more efficiently. While docking methodologies have been successful in reproducing the crystallographic binding modes…


High Performance Computing

Proteus leverages skills in high-performance computing, molecular simulation, and structure-based drug design in conjunction with established experimental drug discovery chemistry techniques…