SAR and QSAR in Environmental Research, Volume 31, Issue 7 (2020)

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SAR and QSAR in Environmental Research, Volume 31, Issue 7 (2020)

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Research Article

Article
Publicly available QSPR models for environmental media persistence
F. Lunghini, G. Marcou, P. Azam, M.H. Enrici, E. Van Miert & A. Varnek
Pages: 493-510
Published online: 26 Jun 2020
AbstractforPublicly available QSPR models for environmental media persistence | Full Text | References | PDF (2.7 MB) | EPUB | Supplemental
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Article
Development of a simple, interpretable and easily transferable QSAR model for quick screening antiviral databases in search of novel 3C-like protease (3CLpro) enzyme inhibitors against SARS-CoV diseases
V. Kumar & K. Roy
Pages: 511-526
Published online: 16 Jun 2020
AbstractforDevelopment of a simple, interpretable and easily transferable QSAR model for quick screening antiviral databases in search of novel 3C-like protease (3CLpro) enzyme inhibitors against SARS-CoV diseases | Full Text | References | PDF (3.8 MB) | EPUB | Supplemental
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Free Access
Article
Predicting pungency and understanding the pungency mechanism of capsaicinoids using TOPS-MODE approach
S. Yu, S. Jia, D. Wang, Z. Lv, Y. Chen, N. Wang, W. Yao & J. Yuan
Pages: 527-545
Published online: 23 Jun 2020
AbstractforPredicting pungency and understanding the pungency mechanism of capsaicinoids using TOPS-MODE approach | Full Text | References | PDF (4.1 MB) | EPUB | Supplemental
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Article
Probing molecular mechanism of inhibitor bindings to bromodomain-containing protein 4 based on molecular dynamics simulations and principal component analysis
S.L. Wu, L.F. Wang, H.B. Sun, W. Wang & Y.X. Yu
Pages: 547-570
Published online: 17 Jun 2020
AbstractforProbing molecular mechanism of inhibitor bindings to bromodomain-containing protein 4 based on molecular dynamics simulations and principal component analysis | Full Text | References | PDF (9.3 MB) | EPUB
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