New paper in the Journal of Medicinal Chemistry

Our paper ‘Diamidine Compounds for Selective Inhibition of Protein Arginine Methyltransferase 1’ has just been accepted by the Journal of Medicinal Chemistry. Misregulation of protein arginine methyltransferase enzymes (PRMTs) have been linked to many pathological conditions. In collaboration with Dr. Zheng’s group at UGA we report diamidine compounds as specific inhibitors of PRMT1, the primary […]

Another paper in Nucleic Acids Research

Our paper ‘Opening Pathways of the DNA Clamps Proliferating Cell Nuclear Antigen and Rad9-Rad1-Hus1’ has just been accepted by the journal Nucleic Acids Research. The recently solved structures of the DNA clamp protein 9-1-1 led to competing proposals regarding how 9-1-1 is loaded onto DNA. Through detailed subunit interface analysis, we identified the subunit interface […]

New paper in Nucleic Acids Research

Our paper ‘Probing DNA clamps with single-molecule force spectroscopy’ has just been published in Nucleic Acids Research and sheds light on the mechanisms of DNA clamp opening under external forces by combining molecular simulation with single-molecule micromanipulation experiments.

New PNAS paper on FEN1/DNA clamp complexes

Our collaborative efforts with Berkeley/LBNL have led to a combined experimental/computational publication ‘Repair complexes of FEN1, DNA and Rad9-Hus1-Rad1 are distinguished from their PCNA counterparts by functionally important stability’ currently in press in Proceedings of the National Academy of Science U.S.A.

Our PNAS paper on PCNA ubiquitylation was highlighted

Our PNAS paper on PCNA ubiquitylation has been selected and evaluated by the post-publication peer review service Faculty of 1000 (F1000). According to the F1000 service this places our work in “.. the top 2% of published articles in biology and medicine”. The Oak Ridge Leadership Computing Facility at Oak Ridge National Laboratory highlights our […]

New XSEDE Award

Ivaylo Ivanov receives a XSEDE award of computational time at the NICS to futher our research efforts on base excision repair. Our proposal entitled “Exploring the Chemical Landscape for Base Excision DNA Repair” was approved to receive 2,500,000 CPU hours under allocation CHE110042.

Announcements from the group

Chunli Yan is joining our group as a new postdoctoral scholar. She comes to us from the University of Texas, Austin. Welcome Chunli! Carlo Guardiani who was with us for a year as a postdoctoral scholar is moving back to Italy to assume a new position at the University of Florence. We all want to […]


Our renewal proposal through the DOE INCITE initiative was awarded 4,000,000 CPU hours at the leadership computing facility at ORNL. We are gratified that the award exceeded our original request by 400,000 units For more details about the award refer to the new DOE Office of Science.

INCITE Proposal

A renewal proposal for computational resources through the DOE INCITE initiative has been submitted (07/01/2009). In 2009 our research project entitled “Interplay of AAA+ molecular machines, DNA repair enzymes and sliding clamps at the replication fork: A multiscale approach to modeling replisome assembly and function” was competitively chosen to receive 2,600,000 CPU hours of supercomputing […]