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Ontario Tech acknowledges the lands and people of the Mississaugas of Scugog Island First Nation.

We are thankful to be welcome on these lands in friendship. The lands we are situated on are covered by the Williams Treaties and are the traditional territory of the Mississaugas, a branch of the greater Anishinaabeg Nation, including Algonquin, Ojibway, Odawa and Pottawatomi. These lands remain home to many Indigenous nations and peoples.

We acknowledge this land out of respect for the Indigenous nations who have cared for Turtle Island, also called North America, from before the arrival of settler peoples until this day. Most importantly, we acknowledge that the history of these lands has been tainted by poor treatment and a lack of friendship with the First Nations who call them home.

This history is something we are all affected by because we are all treaty people in Canada. We all have a shared history to reflect on, and each of us is affected by this history in different ways. Our past defines our present, but if we move forward as friends and allies, then it does not have to define our future.

Learn more about Indigenous Education and Cultural Services

January 27, 2016

Speaker:Dr. Armin Sobhani, UOIT
Title: Computational Evaluation of Drug-Receptor Interactions
Abstract: Use of computational techniques in drug discovery is becoming integrated part of the pharmaceutical industry. Different terms are being used to refer to this field, including computer-aided drug design (CADD), computer-aided molecular design (CAMD), computer-aided molecular modeling (CAMM), rational drug design and in silico drug design.

Commonly used computational approaches for in silico drug design include ligand-based drug design (pharmacophore, a 3D spatial arrangement of chemical features essential for biological activity), structure-based drug design (drug-target docking), and quantitative structure-activity relationships (QSAR).

In this talk, first I will provide an overview of the computational methods for the second approach (i.e. molecular docking). Then I describe the approach we have developed to tackle the problem while I was working at Life Sciences Department of Barcelona Supercomputing Center.