ETS transcription factors comprise an evolutionarily related family of genetic regulators that are ubiquitous in animals and control a myriad of physiologically critical processes. ETS proteins are united by a highly conserved DNA-binding domain, with overlapping target DNA preferences on the one hand, but are functionally diverse and non-redundant on the other. This so-called ìspecificity conundrumî besets not only our understanding of ETS homologs but also the structure-activity relationships of eukaryotic transcription factors in general. Translationally, it hampers efforts to develop...
The program supports the discovery and development of theoretical and computational methods or models to address a range of chemical challenges, with emphasis on emerging areas of chemical research. Proposals that focuson established theoretical or computational approaches should involve innovative additions or modifications that substantially broaden their applicability.
Areas of interest include, but are not limited to, electronic structure, quantum reaction dynamics, statistical mechanics, molecular dynamics, and simulation and modeling techniques for molecular systems and systems in condensed phases. Areas of application span the full range of chemical systems from small molecules to mesoscopic aggregates, including single molecules, biological systems and materials in condensed phases.
Authors can deposit draft chemistry papers in online archive before publication. The American Chemical Society announced today that it will create a preprint server for chemistry research to promote sharing of early scientific results.
Preprint servers allow researchers to publish draft papers or preliminary data online to get feedback from the larger research community before a paper goes through a journal’s more formal peer review process. “A preprint server dedicated to chemists will help speed the dissemination of research results, solicit valuable feedback, and foster international collaboration,” says Kevin Davies, a vice president in ACS’s Publications Division who is spearheading the effort.
ACS is currently seeking collaborators to join in development of the server, which is tentatively called ChemRxiv. The joint undertaking between two of ACS’s divisions—CAS and Publications—is expected to launch in the next few months.
The Iterated Stockholder Atom (ISA) algorithm  is proving to be one of the most interesting methods for atoms‐in‐a‐molecule (AIM): it leads to a unique definition of the atoms which are guaranteed to be maximally spherical while allowing for the effects of charge movement as a result of chemical bonding. Through a basis‐space, or BS‐ISA, algorithm  we are able to calculate the ISA solution at the basis‐set...
Dr. Huang received a B.S. in Chemistry from Nanjing University, China in 2000. After receiving an M.S. in 2002 also from Nanjing University, he started his Ph.D. research with Professor Mostafa A. El-Sayed at Georgia Institute of Technology and received his Ph.D. in 2007. Dr. Huang then began postdoctoral research with Professor Gabor A. Somorjai at University of California,...
The 251st American Chemical Society national meeting and exposition will be held from March 13-17, 2016 at San Diego, CA. The theme this year is "Computers in Chemistry", and PQI faculty Ken Jordan is co-organizing a session entitled Metastable Electronic States: Recent Advances In Theory and Experiment.