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Docking performance of the glide program as evaluated on the Astex and DUD datasets: a complete set of glide SP results and selected results for a new scoring function integrating WaterMap and glide
作者:
Matthew P. Repasky (1) matt.repasky@schrodinger.com
Robert B. Murphy (1) rob.murphy@schrodinger.com
Jay L. Banks (2) jay.banks@schrodinger.com
Jeremy
R. Greenwood (2)
jeremy
.greenwood@schrodinger.com
Ivan Tubert-Brohman (2) ivan.tubert-brohman@schrodinger.com
Sathesh Bhat (2) satesh.bhat@schrodinger.com
Richard A. Friesner (3) rich@chem.columbia.edu
关键词:
Docking –
;
Virtual screening –
;
DUD –
;
Astex –
;
WScore –
;
WaterMap –
;
Glide
刊名:Journal of Computer-Aided Molecular Design
出版年:2012
1
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2012年(1)
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