CCL: Ligand based virtual screening and drug design

 Sent to CCL by: "Atul Agarwal" [aagarwal],[achillion.com]
 I used the LASSO (http://www.simbiosys.ca/ehits_lasso/) approach for
 ligand based virtual screening in the past year. I think it is an
 attractive approach with a novel 2.5 D descriptor combined with very
 fast neural network based screening engine.
 More information about the method is in the following publication:
 D. Reid, B. S. Sadjad, Z. Zsoldos, A. Simon: LASSO - ligand activity by
 surface similarity order: a new tool for ligand based virtual screening
 Journal of Computer-Aided Molecular Design
 http://dx.doi.org/10.1007/s10822-007-9164-5
 doi: 10.1007/s10822-007-9164-5
 Atul Agarwal
 Senior Director, CCI
 Achillion Pharmaceuticals, Inc.
 300 George Street
 New Haven, CT  06511
 203-752-5491 (tel)
 203-752-5454 (FAX)
 aagarwal-x-achillion.com
 -----Original Message-----
 > From: owner-chemistry+aagarwal==achillion.com-x-ccl.net
 [mailto:owner-chemistry+aagarwal==achillion.com-x-ccl.net] On Behalf Of
 Werner K werner.schroedinger(-)googlemail.com
 Sent: Tuesday, September 15, 2009 9:18 AM
 To: Atul Agarwal
 Subject: CCL: Ligand based virtual screening and drug design
 Sent to CCL by: "Werner  K" [werner.schroedinger a googlemail.com]
 Hi,
 what is in your opinion the best software packages for ligand based
 virtual screening and drug design?
 Thanks
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