[Probabilidad-Estadistica-Seminario] Seminario de Probabilidad y Estadística -- Viernes 30 de Octubre

[Andrés Sosa]

Hola

Este viernes 30 de octubre a las *10:30* *horas* en el salón de seminarios del
Centro de Matemática hablará* Matias Machado *(Biomolecular Simulation Lab
-- Institut Pasteur de Montevideo) en el seminario de Probabilidad y
Estadística.

El título de la charla es: *Applying Graph Theory and Molecular Dynamics
Simulations to Understand DNA Flexibility*

Saludos
Andrés

*Abstract:*
*Modeling of macromolecular structures and interactions represents an
important challenge for computational biology, involving different time and
length scales.The continuous increase in computational power is permitting
to explore relevant biological phenomena. This task can be facilitated
through the use of coarse-grained (CG) models, which reduce the number of
degrees of freedom and allow efficient exploration of complex
conformational spaces. In our lab we developed a CG force field named SIRAH
for simulating biomolecules. However, a clever construction of the
simulated system may also grant a considerable speed up and sampling
performance to the calculation. During the seminar I will first give a
brief introduction to biological systems, molecular dynamics (MD)
simulation and some mathematical challenges to then centre the talk in the
use of graph theory to build efficient DNA fibres which maximize the
information content for MD simulations.*
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