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Journal of Biomolecular Structure & Dynamics|March 3, 2023
Synthesis of benzylidene-benzofuranone derivatives as probes for detection of amyloid fibrils in cellsMohsen Tavakoli, Seyyed Abolghasem Ghadami, Hadi Adibi, et al.Journal of Biomolecular Structure & Dynamics|August 23, 2022
Discovery of novel potential inhibitors of TMPRSS2 and Mpro of SARS-CoV-2 using E-pharmacophore and docking-based virtual screening combined with molecular dynamic and quantum mechanicsMohanad A Mahgoub, Ahmed Alnaem, Mohammed Fadlelmola, et al.Journal of Biomolecular Structure & Dynamics|November 8, 2022
Molecular dynamics simulations of the spike trimeric ectodomain of the SARS-CoV-2 Omicron variant: structural relationships with infectivity, evasion to immune system and transmissibilityAnacleto Silva de Souza, Vitor Martins de Freitas Amorim, Robson Francisco de Souza, et al.Journal of Biomolecular Structure & Dynamics|November 9, 2022
Molecular modelling, synthesis and in vitro evaluation of quinazolinone hybrid analogues as potential pancreatic lipase inhibitorsGinson George, Nisha Yadav, Prashant S Auti, et al.Journal of Biomolecular Structure & Dynamics|November 12, 2022
Molecular modeling, docking and dynamics studies of fenugreek (Trigonella foenum-graecum) α-amylaseAvinash Kumar, Vinay Kumar Singh, Arvind M KayasthaJournal of Biomolecular Structure & Dynamics|August 15, 2022
Novel drug design framework as a response to neglected and emerging diseasesStanisław Kulczyk, Mariola Koszytkowska-StawińskaJournal of Biomolecular Structure & Dynamics|August 16, 2022
Unveiling the multitargeted potential of N-(4-Aminobutanoyl)-S-(4-methoxybenzyl)-L-cysteinylglycine (NSL-CG) against SARS CoV-2: a virtual screening and molecular dynamics simulation studyYoussef Saeed Alghamdi, Mutaib M Mashraqi, Ahmad Alzamami, et al.Journal of Biomolecular Structure & Dynamics|August 16, 2022
Atom-based 3D-QSAR and DFT analysis of 5-substituted 2-acylaminothiazole derivatives as HIV-1 latency-reversing agentsMohammad Aqueel Khan, Sanjeev Kumar SinghJournal of Biomolecular Structure & Dynamics|August 16, 2022
Virtual screening reveals liquiritigenin as a broad-spectrum inhibitor of SARS-CoV-2 variants of concern: an in silico studySheikh Sunzid Ahmed, Abdullah Al-Mamun, Shah Imran Hossain, et al.Journal of Biomolecular Structure & Dynamics|August 17, 2022
New sulphonamide-peptide hybrid molecules as potential PBP 2a ligands and methicillin resistant Staphylococcus aureus activesAkachukwu Ibezim, Raphael Onuku, Chidalu Ottih, et al.Pageof 935