Nikolay V Dokholyan

The mission of Dr. Nikolay Dokholyan’s laboratory is to uncover the molecular etiology of neurodegenerative diseases. The lab focuses on understanding, detecting, and controlling proteins implicated in neurodegenerative diseases, such as ALS, Alzheimer’s, Huntington’s, Parkinson’s, and prion disorders. By integrating computational modeling, molecular dynamics simulations, biochemical experiments, and drug discovery, the lab aims to uncover shared mechanisms of protein misfolding and neuron death. Using molecular engineering, the Dokholyan laboratory is developing genetically encoded proteins to sense or alter specific conformations, creating tools like MedusaDock and YuelDesign for virtual screening and drug design, and pioneering simulation and machine learning/AI methods to study molecular behavior at biologically relevant timescales, ultimately advancing therapeutic strategies for these diseases.