ABSTRACT

Pietro Cozzini, Luca Dellafiora, Tiziana Ginex, and Francesca Spyrakis

Flexibility has always represented a fundamental issue for in silico chemistry, especially for docking. In many cases, a limited simulation of proteins intrinsic exibility can, in fact, result in meaningless binding scores, even if a reliable and possibly correct binding pose is obtained (Cozzini et al. 2008).