Our platform integrates computational techniques originally pioneered by Dr. Yibing Shan (a founding member of DE Shaw Research), and proprietary AI & ML models developed in-house at BAKX, with strong experimental drug discovery methods and unique pathway biology knowledge.
The three elements are strongly integrated from an operational and cultural perspective to function as a single unit.
The CoDynX platform enables smart screening of small molecules at massive scale, validating site-specific binding – both through simulation and experimental methods, and supports iterative medicinal chemistry efforts in optimization.
The first application of the platform is focused on the mitochondrial apoptosis pathway, enabled by the knowledge and work of our scientific co-founders Loren D. Walensky Md PhD and Evripidis Gavathiotis PhD.
MD Simulation, including ‘Swimming’
Massive-Scale ‘Smart’ Virtual Screening
Free Energy Calculations and Quantum Chemistry
AI & ML/DL Driven Predictions and Molecule Generation
In-Vitro and In-Vivo Drug Discovery
Experienced Medicinal Chemistry
Structure Based Drug Design
Bio-informatics and Translational Science
Unique Mechanistic Knowledge Of Targets and Their Dynamics
Proprietary Assays and Tools Specific to Target of Interest
Dr. Shan is a pioneer of the field of computational drug discovery using large-scale molecular simulations. As a founding member of D.E. Shaw Research, he was a key player in conceptualizing Anton Specialized Supercomputers and he developed the Gaussian Split Ewald algorithm that was adopted by Anton chips.
At Dana Farber Cancer Institute, Dr. Walensky’s research involves highly specific and stapled peptides, maximizing their potential as novel tools to elucidate oncogenic pathways and as prototype therapies for cancer.
At Einstein College of Medicine, Dr. Gavathiotis’ research focuses on mechanisms of protein interactions in cell death and cell survival signaling and the discovery and optimization of small molecule modulators.