Free energy calculations: From theory to applications
June 4, 2012 to June 8, 2012
Location : Ecole des Ponts, Champs-sur-Marne, France.
This workshop featured talks from a combination of established high profile speakers as well as younger researchers.
A number of themes arose from this workshop, the overarching one being that there is still no ‘best way’ to calculate free energies from molecular simulations. Workshops like this, are essential in facilitating discussion and disseminating the latest findings. Given that new methods are being developed and refined, disseminating the latest progress in a timely fashion is of utmost importance.
A very useful resource from Michael Shirts’ lab: