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Journal of Biomolecular Structure & Dynamics|July 30, 2025
Structural and dynamic properties of guanosine-analog binding to 2'-deoxyguanosine-II riboswitch: a computational studyDeborah Antunes, Lucianna H S Santos, Ernesto Raul Caffarena, et al.Journal of Biomolecular Structure & Dynamics|June 4, 2025
New derivatives of paracetamol as potent α-glucosidase inhibitors: synthesis, in vitro, and in silico studiesRukhsana Bibi, Mumtaz Ali, Abdul Latif, et al.Journal of Biomolecular Structure & Dynamics|May 30, 2025
Integrated in-silico approach to explore the therapeutic potential of RNAs and druggable polyphenols to mine alternative breast cancer therapeutic strategies targeting cancer hallmarksSohini Chakraborty, Satarupa BanerjeeJournal of Biomolecular Structure & Dynamics|May 6, 2025
Inhibition of erectile dysfunction-related enzymes by ginger (Zingiber officinale)-derived compounds: molecular docking and dynamics studiesAyodeji Osmund Falade, Kayode Ezekiel Adewole, Gideon Ampoma Gyebi, et al.Journal of Biomolecular Structure & Dynamics|May 2, 2025
ZINC1797251, a novel natural product small molecule targets viral oncoprotein E6 in human papillomavirus-16 positive cervical cancer cellsAshish KumarJournal of Biomolecular Structure & Dynamics|May 5, 2025
Identification of high-affinity inhibitors for epoxide hydrolase 2 from repurposed drugs in Parkinson's disease therapeuticsAnas Shamsi, Moyad Shahwan, Sohaib Naseem Khan, et al.Journal of Biomolecular Structure & Dynamics|May 5, 2025
Computational investigations involving the structural, functional, and molecular dynamics analysis of bacterial laccase to unravel its role in lignin biodegradationMonalisa Mahuri, Manish Paul, Sumanta Kumar Sahu, et al.Journal of Biomolecular Structure & Dynamics|April 27, 2025
Designing highly efficient heterocyclic inhibitors for SARS-CoV-2 3C-like proteinase: a comprehensive in silico studyNabil Nor, Soukaina Zahm, Habib El Alaoui El Abdallaoui, et al.Journal of Biomolecular Structure & Dynamics|October 29, 2025
An integrative computational study of marine natural products as selective inhibitors of HPV16 and HPV18 E6/E7 oncoproteins: structural and energetic insights from PCA-based free energy landscape analysisAppala Krishna Chaitanya Gundu, Govindaraju Kasivelu, Santhiya Panchalingam, et al.Journal of Biomolecular Structure & Dynamics|October 7, 2025
Computational characterization of a HotDog domain-containing hypothetical protein from the food vacuole of Plasmodium falciparum reveals potential allosteric regulation by antimalarialsPooja Gupta, Naveen Kumar Kaushik, Cheryl Sachdeva, et al.Pageof 932