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Structural Chemistry|March 29, 2022
Identification of novel TMPRSS2 inhibitors against SARS-CoV-2 infection: a structure-based virtual screening and molecular dynamics studySuman Manandhar, K Sreedhara Ranganath Pai, Praveen T Krishnamurthy, et al.Structural Chemistry|May 19, 2026
A benchmark study of force fields implemented in CSD softwareLily M Hunnisett, Pietro Sacchi, Andrew G P MaloneyStructural Chemistry|May 19, 2026
Five phases of formamide formed from 0.1 to 1.8 GPaAlice Dawson, Laura E Budd, David R Allan, et al.Structural Chemistry|January 30, 2023
Design of hACE2-based small peptide inhibitors against spike protein of SARS-CoV-2: a computational approachNaveen Dhingra, Ravindra Bhardwaj, Uma Bhardwaj, et al.Structural Chemistry|July 11, 2022
Exploration of chalcones as 3-chymotrypsin-like protease (3CLpro) inhibitors of SARS-CoV-2 using computational approachesThua-Phong Lam, Dac-Nhan Nguyen, Tan Thanh Mai, et al.Structural Chemistry|April 5, 2021
Synthesis and crystal structures of 7,8-bromo (dibromo)-3-tert-butylpyrazolo[5,1-c][1,2,4]triazinesSergey M Ivanov, Denis S KoltunStructural Chemistry|August 8, 2022
Natural inhibitors for severe acute respiratory syndrome coronavirus 2 main protease from Moringa oleifera, Aloe vera, and Nyctanthes arbor-tristis: molecular docking and ab initio fragment molecular orbital calculationsDivya Shaji, Ryo Suzuki, Shohei Yamamoto, et al.Structural Chemistry|August 1, 2022
Identification of SARS-CoV-2 inhibitors through phylogenetics and drug repurposingAnamika Mishra, Viswajit Mulpuru, Nidhi MishraStructural Chemistry|November 2, 2022
In silico analyses of betulin: DFT studies, corrosion inhibition properties, ADMET prediction, and molecular docking with a series of SARS-CoV-2 and monkeypox proteinsTatyana M Burkhanova, Alena I Krysantieva, Maria G Babashkina, et al.Structural Chemistry|November 2, 2022
Insight into designing of 2-pyridone derivatives for COVID-19 drug discovery - A computational studyJoseph George Samuel, Beutline Malgija, Cheriyan Ebenezer, et al.Pageof 8