Post Doc positions in Computational simulations of protein/nucleic acid interaction

The research focuses on applying computational methods (mostly, molecular dynamics simulations, enhanced sampling, docking and alchemical binding free energy calculations for drug design) to dissect the mechanism of protein/nucleic acid complexes. The De Vivo lab is centered on a function-to-inhibition approach. Pharmaceutically relevant targets are studied at the atomistic level, and the resulting molecular understanding is then used to design functional modulators, possibly useful for drug discovery efforts.