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Journal of Biomolecular Structure & Dynamics|October 2, 2022
New lead compounds identification against KRas mediated cancers through pharmacophore-based virtual screening and in vitro assaysMehreen Ghufran, Ashfaq Ur Rehman, Muhammad Ayaz, et al.Journal of Biomolecular Structure & Dynamics|September 14, 2022
Synthesis, antimicrobial properties and in silico studies of aryloxyacetic acid derivatives with hydrazone or thiazolidine-4-one scaffoldSevil Şenkardeş, Didem Kart, Bilge Bebek, et al.Journal of Biomolecular Structure & Dynamics|September 20, 2022
In silico approach identified benzoylguanidines as SARS-CoV-2 main protease (Mpro) potential inhibitorsKaio Maciel de Santiago-Silva, Priscila Camargo, Gabriel Felix da Silva Gomes, et al.Journal of Biomolecular Structure & Dynamics|September 12, 2022
Design and in silico analysis of mRNA vaccine construct against SalmonellaMuhammad Janees Imdad, Muhammad Naseem Khan, Hafiz Shahood Alam, et al.Journal of Biomolecular Structure & Dynamics|September 12, 2022
Pharmacological features, health benefits and clinical implications of honokiolFatima Khatoon, Sabeeha Ali, Vijay Kumar, et al.Journal of Biomolecular Structure & Dynamics|September 12, 2022
Elucidating structure and dynamics of glutathione S-transferase from Rhipicephalus (Boophilus) microplusWarin Rangubpit, Eukote Suwan, Danai Sangthong, et al.Journal of Biomolecular Structure & Dynamics|September 19, 2022
A computer-aided drug design approach to explore novel type II inhibitors of c-Met receptor tyrosine kinase for cancer therapy: QSAR, molecular docking, ADMET and molecular dynamics simulationsOssama Daoui, Hassan Nour, Oussama Abchir, et al.Journal of Biomolecular Structure & Dynamics|September 21, 2022
Structural communication fingerprinting and dynamic investigation of RBD-hACE2 complex from BA.1 × AY.4 recombinant variant (Deltacron) of SARS-CoV-2 to decipher the structural basis for enhanced transmissionJiangang Wang, Syeda Fatima Muhammad, Shafaq Aman, et al.Journal of Biomolecular Structure & Dynamics|October 6, 2022
Identification of prospective covalent inhibitors for SARS-CoV-2 main protease using structure-based approachShenvi Kudchadker Gayatri, Vaishnavi Chhabra, Harish Kumar, et al.Journal of Biomolecular Structure & Dynamics|November 3, 2021
Microbial based natural compounds as potential inhibitors for SARS-CoV-2 Papain-like protease (PLpro): a molecular docking and dynamic simulation studyS Rahul, Angana SarkarPageof 935