CCL: software for docking waters?



 Sent to CCL by: Simon Cross [simon%a%moldiscovery.com]
 Hi Matt, you can take a look at our approach in FLAP for predicting water
 networks and their use in docking (WaterFLAP and FLAPdock).
 There are details on our website at moldiscovery [dot] com
 My best,
 Simon
 Sent from my iPhone
 On 30 May 2014, at 19:05, "Matt Challacombe
 matt.challacombe#,#gmail.com" <owner-chemistry^-^ccl.net> wrote:
 >
 > Sent to CCL by: Matt Challacombe [matt.challacombe|gmail.com]
 > Hi CCL,
 >
 > From the posts of Bin Sun & Prof. Case, I see there are great softwares
 for molecular docking.  I'm wondering about a related problem I haven't seen
 much about, namely the docking of large water nets, eg. in active sites, binding
 pockets etc.  Beyond just "do MD" is there an exhaustive approach?
 Maybe some experimental code?
 >
 > Cheers, Matt Challacombehttp://www.ccl.net/chemistry/sub_unsub.shtml>;
 >