|We work at the interface of physics, biology, and computer science; the research is a collective effort of our group members who have background in one or more of these fields. Specific projects
range from those based on analytical techniques
that require no computation, to ones where computation on highly parallel
clusters is essential. The funding comes from the NIH and the NSF.
| Active Research Areas
How can one estimate, accurately and efficiently, long-range electrostatic interactions that play crucial role in determining biological properties of macromolecules? How can we use these estimates to gain insights into
fundamental properties of biopolymers?
|Algorithms to speed-up molecular simulations |
Realistic molecular dynamics simulations of even small structures require the computational power of today's fastest supercomputers. Can we combine novel computational methods with "better hardware" (for example, general purpose graphical processing units
(GPGPU) ) to deliver computational power exceeding the fastest supercomputers,
to your desktop?
| ||DNA compaction and deformation|
DNA compaction plays vital role in key cellular processes such as cell differentiation, DNA replication, repair, and transcription. Which fundamental physical principles control the DNA compaction? And exactly how flexible is the DNA polymer?
|Nucleic acid condensation induced by ions |
Our goal is to develop a quantitative, atomic-level understanding of how multivalent ions, including biologically relevant polyamines, mediate attractive forces between nucleic acid molecules (DNA, RNA) that lead to various nucleic acid condensation phenomena observed in experiments.
| 3D organization of the genome: the basic principles. |
Our goal is to elucidate, through a combination of
of computation and experiment, the mechanisms of nonrandom genome organization.