SAR and QSAR in Environmental Research, Volume 32, Issue 9 (2021)

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SAR and QSAR in Environmental Research, Volume 32, Issue 9 (2021)

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Research Article

Article
The QSAR-search of effective agents towards coronaviruses applying the Monte Carlo method
A.A. Toropov, A.P. Toropova & E. Benfenati
Pages: 689-698
Published online: 23 Jul 2021
AbstractforThe QSAR-search of effective agents towards coronaviruses applying the Monte Carlo method | Full Text | References | PDF (1.8 MB) | EPUB | Supplemental
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Article
Molecular modelling on SARS-CoV-2 papain-like protease: an integrated study with homology modelling, molecular docking, and molecular dynamics simulations
A. Arwansyah, A.R. Arif, I. Ramli, I. Kurniawan, S. Sukarti, M. Nur Alam, I. Illing, A. Farid Lewa & B. Manguntungi
Pages: 699-718
Published online: 16 Aug 2021
AbstractforMolecular modelling on SARS-CoV-2 papain-like protease: an integrated study with homology modelling, molecular docking, and molecular dynamics simulations | Full Text | References | PDF (6.2 MB) | EPUB | Supplemental
  • 359 Views
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Article
Identification of new IL-7Rα small-molecule agonists: a multi-computational approach
J.-Y. Lee, K. Lee & B. Koh
Pages: 719-729
Published online: 25 Aug 2021
AbstractforIdentification of new IL-7Rα small-molecule agonists: a multi-computational approach | Full Text | References | PDF (2.6 MB) | EPUB | Supplemental
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Open Access
Article
QSAR analysis of sodium glucose co–transporter 2 (SGLT2) inhibitors for anti-hyperglycaemic lead development
A. Gandhi, V. Masand, M.E.A. Zaki, S.A. Al-Hussain, A. Ben Ghorbal & A. Chapolikar
Pages: 731-744
Published online: 08 Sep 2021
AbstractforQSAR analysis of sodium glucose co–transporter 2 (SGLT2) inhibitors for anti-hyperglycaemic lead development | Full Text | References | PDF (1.7 MB) | EPUB | Supplemental
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Article
A modified binary particle swarm optimization with a machine learning algorithm and molecular docking for QSAR modelling of cholinesterase inhibitors
E. Shamsi, A. Rahati & E. Dehghanian
Pages: 745-767
Published online: 08 Sep 2021
AbstractforA modified binary particle swarm optimization with a machine learning algorithm and molecular docking for QSAR modelling of cholinesterase inhibitors | Full Text | References | PDF (4.6 MB) | EPUB | Supplemental
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