SAR and QSAR in Environmental Research, Volume 33, Issue 10 (2022)

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SAR and QSAR in Environmental Research, Volume 33, Issue 10 (2022)

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Research Article

Article
LY3041658/ interleukin-8 complex structure as targets for IL-8 small molecule inhibitors discovery using a combination of in silico methods
T.T.N. Tran, Q.H. Tran, Q.T. Nguyen, M.T. Le, D.T.T. Trinh, V.H. Tran & K.M. Thai
Pages: 753-778
Published online: 01 Nov 2022
AbstractforLY3041658/ interleukin-8 complex structure as targets for IL-8 small molecule inhibitors discovery using a combination of in silico methods | Full Text | References | PDF (9.7 MB) | EPUB | Supplemental
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Article
Hybrid consensus and k-nearest neighbours (kNN) strategies to classify dual BRD4/PLK1 inhibitors
H. Rezaie, M. Asadollahi-Baboli & S.K. Hassaninejad-Darzi
Pages: 779-792
Published online: 04 Nov 2022
AbstractforHybrid consensus and k-nearest neighbours (kNN) strategies to classify dual BRD4/PLK1 inhibitors | Full Text | References | PDF (3.1 MB) | EPUB | Supplemental
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Article
SAR based on self consistent classifier
L.A. Stolbov, D.A. Filimonov & V.V. Poroikov
Pages: 793-804
Published online: 11 Nov 2022
AbstractforSAR based on self consistent classifier | Full Text | References | PDF (3.8 MB) | EPUB | Supplemental
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Article
Decoding drug resistant mechanism of V32I, I50V and I84V mutations of HIV-1 protease on amprenavir binding by using molecular dynamics simulations and MM-GBSA calculations
Y.X. Yu, W. Wang, H.B. Sun, L.L. Zhang, L.F. Wang & Y.Y. Yin
Pages: 805-831
Published online: 02 Nov 2022
AbstractforDecoding drug resistant mechanism of V32I, I50V and I84V mutations of HIV-1 protease on amprenavir binding by using molecular dynamics simulations and MM-GBSA calculations | Full Text | References | PDF (11.6 MB) | EPUB | Supplemental
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