The Nobel prize in chemistry this year was awarded to 3 theoreticians (namely Martin Karplus, Michael Levitt and Arieh Warshel) for their contribution to the development of multi-scale modeling.
After the discussion in the past years of the chemistry prize becoming a biology prize it sounds perfect! It is, in the same time both clearly chemistry in nature and interdisciplinary.
In that regard the personality of Martin Karplus should be mentioned [I am probably biased there as an ex-member of his lab]. He has worked during these years ate the interface between chemistry, physics and biology (http://tinyurl.com/kjurlpa). And obviously at the interface between modeling and experiments.