Seminar: Computational Studies of Biological Systems Related to Human Diseases

05/11/2018 - 12:00 - 13:00

Computational biology is playing an ever-increasing important role in understanding the atomistic level details of complex biological processes, rationalizing mechanisms and predicting novel aspects, which are inaccessible, yet complementary, to experiments and identify novel drugs to interfere with biological mechanisms leading to diseases’ onset. This field evolves extremely fast, so that microsecond/millisecond time-scale simulations are nowadays routinely performed to follow the dynamics of biological systems containing up to millions of atoms. In this talk, multi-scale simulations ranging from force field molecular dynamics to hybrid quantum-classical (QM/MM) simulations, in combination with free energy techniques, will enlighten the molecular mechanisms of complex biological processes ranging from (i) the splicing mechanism in self-splicing ribozymes up to the eukaryotic spliceosome [1,2,3], (ii) membrane–anchored enzymes metabolizing hormones [4,5], and finally, (iii) to signal transmission in nuclear receptors and their polymorphic variants [6].


Dr. Alessandra Magistrato, CNR-IOM at SISSA, Trieste. Italy
Building 211, seminar room