Join us in the ASRC 5th Fl Data Visualization Room for a special one-hour seminar titled: “Developing and Applying Fast constant-pH Simulation Methods in Biological Systems: From biomaterials to virus.”
Speaker: Fernando Luίs Barroso da Silva
Associate Professor, Department of Biomolecular Sciences
School of Pharmaceutical Sciences at Ribeirão Preto – University of São Paulo
Sao Paolo, Brazil
Abstract: A vast class of biomolecular engineering problems at the present including the understanding, diagnosis, and treatment of diseases; developments in the pharmaceutical and food industries; design of new (bio)functionalized materials and processes of bioseparation, in general, relies on a better knowledge of the fundamental physical interactions responsible for the formation and stability of molecular complexes. pH is a key physical-chemical parameter for many of them that is also related to the macromolecular complexation even “on the wrong side of the pI”. At our lab, our focus has been on the development of coarse-grained descriptions that could result in a good compromise between the proper modeling of the constant-pH physics and reduced simulation time. In this talk, I will review the main aspects of the peculiar attraction behind like-charge macromolecules, the constant-pH simulation models devised for different biomolecular applications, and how we have been using these tools together with other simulation and structural bioinformatic methods to better understand spidroins, viruses (flaviviruses and coronaviruses) and designing therapeutic agents.
Download Fernando Barroso Seminar Flyer (202KB .PDF file)
Snacks and refreshments to start at 12:30pm in the 5th fl data viz room. This event will be in-person only.
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