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Journal of Biomolecular Structure & Dynamics|August 29, 2023
Acetylsalicylic acid-sulfa drugs conjugates as potential urease inhibitors and anti-inflammatory agents: bio-oriented drug synthesis, molecular docking, and dynamics simulation studiesSaghir Ahmad, Muhammad Abdul Qadir, Mahmood Ahmed, et al.Journal of Biomolecular Structure & Dynamics|August 29, 2023
Flavonoids as potential reactivators of structural mutation p53Y220C by computational and cell-based studiesLakshay Malhotra, Punit Kaur, Abdul Samath EthayathullaJournal of Biomolecular Structure & Dynamics|August 29, 2023
Computational insights into pediatric adenovirus inhibitors: in silico strategies for drug repurposingKaushik Sarkar, Subrata Nandi, Rajesh Kumar DasJournal of Biomolecular Structure & Dynamics|August 11, 2023
Exploring α, β-unsaturated carbonyl compounds against bacterial efflux pumps via computational approachSreenath Dey, Sanket Rathod, Kondba Gumphalwad, et al.Journal of Biomolecular Structure & Dynamics|August 12, 2023
Molecular modeling strategy for detailing the primary mechanism of action of copanlisib to PI3K: combined ligand-based and target-based approachJingyu Zhu, Xintong Li, Huiqin Meng, et al.Journal of Biomolecular Structure & Dynamics|August 14, 2023
Computational-based drug design of novel small molecules targeting p53-MDMX interactionAbel Ujaigbe Egbemhenghe, Olajide Enoch Aderemi, Bamidele Samson Omotara, et al.Journal of Biomolecular Structure & Dynamics|August 14, 2023
Computational insights into the role of structurally diverse plant secondary metabolites as inhibitors against Imidazole Glycerol Phosphate Dehydratase of Mycobacterium tuberculosisVasantharaja Raguraman, Leena Chauhan, Priyanka Gehlot, et al.Journal of Biomolecular Structure & Dynamics|October 9, 2023
Structure-based virtual screening and fragment replacement to design novel inhibitors of Coxsackievirus A16 (CVA16)Jing Zhou, Yangyang Zhao, Ruizhe Yang, et al.Journal of Biomolecular Structure & Dynamics|October 6, 2023
Novel designed analogues of quercetin against SARS-CoV2:an in-silico pharmacokinetic evaluation, molecular modeling, MD simulations based studySumbul Shamim, Mahwish Akhtar, Somia GulJournal of Biomolecular Structure & Dynamics|October 9, 2023
Assessing the inhibitory potential of anti-dengue compounds against Japanese encephalitis virus RNA dependent RNA polymerase: an in silico studyLeena H Bajrai, Thamir A Alandijany, Isra Alsaady, et al.Pageof 931