Introduction to Molecular Dynamics Simulations

A seminar by Simone Furini from the Department of Medical Biotechnologies of the University of Siena

  • Date: 01 DECEMBER 2017  at 9:12

  • Event location: Room A2, School of Architecture and Engineering, via Rasi e Spinelli 176, Cesena

  • Type: Seminar

Curriculum: Bioengineering


Molecular Dynamics (MD) is the most common technique for simulating biological molecules at the atomic level. The basic principles of MD simulations will be discussed, together with applications to the analysis of biological processes (ion conduction in membrane proteins, and protein DNA interactions). The main advantage of MD simulation is the possibility to observe complex molecular events at the atomic scale, offering an unprecedented understanding of biological processes. However, the immediate consequence of the atomic detail is the high computational cost of the simulations, which severely limits the timescale of the trajectories, and the comparison with experimental data. Numerical algorithms for extending the timescale accessible by MD simulations will be presented.


Registration is not compulsory, but highly recommended.

It will be possible to register until November 28 at 3 pm


Stefano Severi

Write an e-mail