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Chemometrics Applications and Research: QSAR in Medicinal Chemistry(1)
Journal of Molecular Graphics and Modelling(1)
Área temáticas
Farmacología y terapéutica(1)
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Relación cuantitativa estructura-actividad(2)
Biología molecular(1)
Bioquímica(1)
Farmacología(1)
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scopus(2)
A comparative QSAR on 1,2,5-thiadiazolidin-3-one 1,1-dioxide compounds as selective inhibitors of human serine proteinases
ArticleAbstract: Selective inhibitors of target serine proteinases have a potential therapeutic role for the treatmenPalabras claves:1,2,5-Thiadiazolidin-3-one 1,1-dioxide, Flexible descriptors, molecular dynamics, QSAR Theory, serine proteasesAutores:Caram J.A., Castro E.A., Fernandez F.M., García J., Mirífico M.V., Pablo R. Duchowicz, Rozas M.F.Fuentes:scopusConsidering the molecular conformational flexibility in QSAR studies
Book PartAbstract: Conformational flexibility is a crucial aspect to be considered from the molecular structure for obtPalabras claves:ALGORITHMS, Molecules, QSAR, Replacement method, Stepwise inclusion techniqueAutores:Castro E.A., García J., Pablo R. DuchowiczFuentes:scopus