The Nobel Prize in Chemistry 2013 recognized the computer calculations on the large complex molecules such as proteins that make life possible. With more and more powerful computers, simulations are able to make more realistic predictions for many important processes in Chemistry and Biology. Prof Xuhui Huang from HKUST share with the audience how computers make impact in our understanding of complex systems.
The Nobel Prize in Chemistry 2013 recognized the computer calculations on the large complex molecules such as proteins that make life possible. In the 1970s, this year’s Nobel Laureates: Martin Karplus, Michael Levitt and Arieh Warshel laid the foundation for the powerful computer programs based on multi-scale modeling that can understand and predict many chemical and biological processes. For example, to model how a drug couples to its target protein, the computer performs quantum mechanics calculations on atoms of the protein that in direct contact with the drug, while the rest of the protein is modeled using less demanding classical Newtonian physics. With more and more powerful computers, simulations are able to make more realistic predictions for many important processes in Chemistry and Biology. In this talk, the speaker will share with the audience how computers make impact in our understanding of complex systems.
