1.
J Med Chem
; 38(3): 466-72, 1995 Feb 03.
Artigo
em Inglês
| MEDLINE
| ID: mdl-7853340
RESUMO
A new computational method for the in situ generation of small molecules within the binding site of a protein is described. The method has been evaluated using two well-studied systems, dihydrofolate reductase and thymidylate synthase. The method has also been used to guide improvements to inhibitors of HIV-1 protease. One such improvement resulted in a compound selected for preclinical studies as an antiviral agent against AIDS.