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1.
BRUTUS: optimization of a grid-based similarity function for rigid-body molecular superposition. 1. Alignment and virtual screening applications.
J Med Chem
; 48(12): 4076-86, 2005 Jun 16.
Artículo
en Inglés
| MEDLINE | ID: mdl-15943481
2.
FieldChopper, a new tool for automatic model generation and virtual screening based on molecular fields.
J Chem Inf Model
; 48(6): 1131-7, 2008 Jun.
Artículo
en Inglés
| MEDLINE | ID: mdl-18489083
3.
Insights into ligand-elicited activation of human constitutive androstane receptor based on novel agonists and three-dimensional quantitative structure-activity relationship.
J Med Chem
; 51(22): 7181-92, 2008 Nov 27.
Artículo
en Inglés
| MEDLINE | ID: mdl-18983136
4.
BRUTUS: optimization of a grid-based similarity function for rigid-body molecular superposition. II. Description and characterization.
J Comput Aided Mol Des
; 20(4): 227-36, 2006 Apr.
Artículo
en Inglés
| MEDLINE | ID: mdl-16855854
5.
Increasing the Throughput of Shape-Based Virtual Screening with GPU Processing and Single Conformation Databases.
Mol Inform
; 29(4): 293-6, 2010 Apr 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-27463056
6.
Comparing the quality and predictiveness between 3D QSAR models obtained from manual and automated alignment.
J Chem Inf Comput Sci
; 44(3): 807-16, 2004.
Artículo
en Inglés
| MEDLINE | ID: mdl-15154745
7.
A structure-activity relationship study of catechol-O-methyltransferase inhibitors combining molecular docking and 3D QSAR methods.
J Comput Aided Mol Des
; 17(12): 797-810, 2003 Dec.
Artículo
en Inglés
| MEDLINE | ID: mdl-15124929
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