Alexey Onufriev

Synopsis

Dr. Onufriev's group develops and uses theoretical and computational methods to understand structure-function connection in biomolecular systems, especially in chromatin and water.

Description

The most recent focus of the lab is a completely new filed -- Physical Epigenetics. Which we define as deciphering rules of epigenetics with the help of physics and computation. The key premise is that, despite the appearance of daunting complexity, one can still make meaningful structure-function connections in epigenetics based on robust physics-based models. We are looking into establishing these connections at various scales, from the nucleosome to the entire cell nucleus. For example, our models identify unexplored post-translational modifications in the nucleosome core as key to selective control of the accessibility of the genetic material in the nucleosomal DNA. Our most recent collaborative work explores the largely unknown role of nuclear envelope in the structure and, ultimately, function, of chromatin.

At the same time, the lab continues to investigate water at atomistic level, and to develop novel, highly accurate and efficient models of water. We are fascinated with this most simple, yet most important molecule of Life, and the challenges that prediction of liquid water properties presents to a theorist. We are also looking into role of water in structure and function of biomolecules, using computational tools and models that we develop.