SAR and QSAR in Environmental Research, Volume 33, Issue 1 (2022)

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SAR and QSAR in Environmental Research, Volume 33, Issue 1 (2022)

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Research Article

Article
Applying comparative molecular modelling techniques on diverse hydroxamate-based HDAC2 inhibitors: an attempt to identify promising structural features for potent HDAC2 inhibition
V. Yadav, S. Banerjee, S.K. Baidya, N. Adhikari & T. Jha
Pages: 1-22
Published online: 04 Jan 2022
AbstractforApplying comparative molecular modelling techniques on diverse hydroxamate-based HDAC2 inhibitors: an attempt to identify promising structural features for potent HDAC2 inhibition | Full Text | References | PDF (5.1 MB) | EPUB | Supplemental
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Article
Ranked binding energies of residues and data fusion to identify the active and selective pyrimidine-based Janus kinases 3 (JAK3) inhibitors
M. Gholamhoseinnia & M. Asadollahi-Baboli
Pages: 23-34
Published online: 17 Dec 2021
AbstractforRanked binding energies of residues and data fusion to identify the active and selective pyrimidine-based Janus kinases 3 (JAK3) inhibitors | Full Text | References | PDF (2.4 MB) | EPUB | Supplemental
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Article
Comparison of predictions of developmental toxicity for compounds of solvent data set
M. Vračko, M. Stanojević & M. Sollner Dolenc
Pages: 35-48
Published online: 24 Jan 2022
AbstractforComparison of predictions of developmental toxicity for compounds of solvent data set | Full Text | References | PDF (2.1 MB) | EPUB | Supplemental
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Article
Ligand-based discovery of new potential acetylcholinesterase inhibitors for Alzheimer’s disease treatment
Y. Cañizares-Carmenate, N.-H. Nam, R. Díaz-Amador, N.T. Thuan, P.T.P. Dung, F. Torrens, H. Pham-The, F. Perez-Gimenez & J.A. Castillo-Garit
Pages: 49-61
Published online: 20 Jan 2022
AbstractforLigand-based discovery of new potential acetylcholinesterase inhibitors for Alzheimer’s disease treatment | Full Text | References | PDF (1.5 MB) | EPUB | Supplemental
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