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1.
Small molecule affinity fingerprinting. A tool for enzyme family subclassification, target identification, and inhibitor design.
Chem Biol
; 9(10): 1085-94, 2002 Oct.
Artículo
en Inglés
| MEDLINE | ID: mdl-12401493
2.
A molecular basis for the selectivity of thiadiazole urea inhibitors with stromelysin-1 and gelatinase-A from generalized born molecular dynamics simulations.
J Med Chem
; 47(12): 3065-74, 2004 Jun 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-15163188
3.
Using pharmacophore models to gain insight into structural binding and virtual screening: an application study with CDK2 and human DHFR.
J Chem Inf Model
; 46(2): 728-35, 2006.
Artículo
en Inglés
| MEDLINE | ID: mdl-16563003
4.
SitePrint: three-dimensional pharmacophore descriptors derived from protein binding sites for family based active site analysis, classification, and drug design.
J Chem Inf Comput Sci
; 44(6): 2190-8, 2004.
Artículo
en Inglés
| MEDLINE | ID: mdl-15554689
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