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 […]
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 […]
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.
Oak Ridge National Lab highlights our recent work on Replication Protein A:‘Neutrons help shed light on critical protein activity that protects our DNA’.
Our paper ‘A new structural framework for integrating replication protein A into DNA processing machinery’, which is currently in press in Nucleic Acids Research, has been selected as a ‘featured paper’ in the top 5% of NAR submissions.
Ivaylo Ivanov receives a Dean’s Early Career Award from Georgia State University.
A News and Views article on the role of metal cofactors in CDK2 kinase is currently in press in Nature Chemistry.
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.
Ivaylo Ivanov receives a five year NSF-CAREER Award from the National Science Foundation.
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 […]
Our proposal for computational time on the special purpose Anton machine at the National Resource for Biomedical Supercomputing (NRBSC) in Pittsburgh is approved.
Our collaborative efforts on PCNA ubiquitination with Berkeley Lab, Univ. of Iowa and Univ. of Delaware led to a combined experimental/computational publication currently in press in Proceedings of the National Academy of Science U.S.A.
Ivaylo Ivanov receives NERSC Initiative for Scientific Exploration (NISE) Award.
Our collaboration with the group of Prof. Zheng on histone acetylation has led to a combined experimental/computational paper available from the Journal of Biological Chemistry.
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.
Ivaylo Ivanov receives a Cleon C. Arrington Research Initiation Grant, which will help with establishing our new research program on eukaryotic clamp loading.
Ivaylo Ivanov attended the Keystone Symposium on DNA Replication and Recombination and presented our new findings on the flexible association of ubiquitin and PCNA.
Two recent papers on ligand-gated ion channels (LGICs) have been published and available from the Biophysical Journal and Proteins: Structure, Function and Bioinformatics.
Our work on PCNA highlighted by the NCCS at Supercomputing 2010 Conference in New Orleans.
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 […]
Scientists use Jaguar to model replisome components to understand their role in health and disease. Source: Supercomputers Simulate the Molecular Machines that Replicate and Repair DNA
Our first paper from GSU is published and available from the web site of the Journal of the American Chemical Society.
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.
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 […]
2009 Two new members join our group.
Integrative Biomolecular Modeling 