SimBioSys Lab

Simulation of Biomolecular Systems

at Northeastern University 


 Complex biomolecules such as proteins are not just static objects that we are used to seeing in the pages of textbooks and journals. Instead, these are dynamic entities that drive life and health. The functioning of these critical molecular machines depends on their structures, dynamics, and conformational transitions. Experimental techniques for capturing such structures and dynamics, however, can be extremely challenging and resource-intensive. This is where computers come to the rescue.

The SimBioSys Lab focuses on structure-dynamics modeling of complex biosystems by looking at these through the virtual microscope. The goal of the lab is to solve biomedical problems at the molecular level both from first principles, as well as harnessing data-driven approaches. Our research is at the interface of biochemistry, physics, chemical engineering and computer science where we strive to bridge theoretical modeling, in silico results, and experimental data.


The SimBioSys Group research pipeline works on solving multiscale problems using multi-pronged tools and multidisciplinary approaches - striving towards the betterment of human health and knowledge.

Dynamics and movement drives life... Dynamics and movement fascinates the SimBioSys Lab...

"…everything that living things do can be understood in terms of the jigglings and wigglings of atoms.”

-Richard Feynman, The Feynman Lectures on Physics

"चरन्वै मधु विन्दति चरन्स्वादुमुदुम्बरम्सूर्यस्य पश्य श्रेमाणं यो न तन्द्र यते चरंश् चरैवेति चरैवेति ” 

-Ancient Sanskrit philosophy (Rigveda)


("The honey bee, by its motion, collects honey, and birds enjoy tasty fruits by constant movement. The Sun is revered, by virtue of its constant shining movement; therefore, one should be constantly in motion. 

Keep moving, keep moving - Charaiveti, charaiveti." )

The SymBioSys Lab supports and celebrates

Land Acknowledgement: We acknowledge the territory on which Northeastern University stands, which is the land of The Wampanoag and The Massachusett People. While visiting campus, please honor the continued efforts of the Native and Indigenous community leaders who work to preserve the history and culture of the tribes which make up Eastern Massachusetts and the surrounding region. Today, Boston is still home to many indigenous peoples, including the Mashpee Wampanoag and Wampanoag Tribe of Gay Head (Aquinnah), the Mi’kmaq and many more in our region.