When: Wednesday, June 12, 2 pm Where: LSEB room 103, 24 Cummington Street Title: Epigenetics in Cancer and Metabolic Diseases Speaker: Professor Olaf G. Wiest Department of Chemistry and Biochemistry University of Notre Dame, Notre Dame, IN 46556 Abstract: Epigenetic targets have found significant interest in drug discovery in the last few years. Here, […]
When: Monday, June 3, 4:30 pm Where: ENG room 203, 44 Cummington Street Title: Protein modeling, SNPs, and computational drug discovery Speaker: Professor Michael J E Sternberg Director, Centre for Integrative Systems Biology and Bioinformatics Imperial College, London SW7 2AZ,UK Professor Sternberg’s research focuses on protein bioinformatics. He entered this area after obtaining a first […]
Paper on connection of druggable and alanine scanning hotspots published by Structural Bioinformatics lab was among top 10 most read papers published in JCIM in 3rd quarter of 2012 (list copied below). At this moment, it is still one of the top 20 most downloaded articles over the last 12 months. (Cached here) What […]
When: Friday, May 31, 1 pm Where: ENG room 203, 44 Cummington Street Title: Chemical tools for studying how a general allosteric site regulates protein kinase function Authors: Justin Rettenmaier, Jack Sadowsky, Nathan Thomsen, Allison Doak, Jim Wells Small-molecule inhibitors of protein kinases have revolutionized biomedical science. In the clinic, protein kinase inhibitors have ushered […]
In this study we developed a new version of FTMap to map DNA structure which successfully identified the binding hot spots in the minor groove of B-DNA. We also provide some insight on how the recently discovered high-frequency Hoogsteen flipping of base pairs could affect DNA’s reactivity with formaldehyde. This work is accepted by Nucleic Acids […]
Despite the growing number of examples of small-molecule inhibitors that disrupt protein–protein interactions (PPIs), the origin of druggability of such targets is poorly understood. To identify druggable sites in protein–protein interfaces we combine computational solvent mapping, which explores the protein surface using a variety of small “probe” molecules, with a conformer generator to account for […]
In the January 18 issue of PNAS, Cencic et. al . reported the results of an ultra-high-throughput screening for inhibitors of the translation initiation complex eIF4F. This screening resulted in the identification of a compound that prevents the formation of this complex from its components eIF4E and eIF4G. Blocking this interaction sensitizes many cancer types to […]