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Journal of Biomolecular Structure & Dynamics|December 8, 2023
Identification of potential novel inhibitors against the SARS-CoV-2 spike protein: targeting RBD and ACE2 interactionJyoti Verma, Pragyan Parimita Rath, Samudrala Gourinath, et al.Journal of Biomolecular Structure & Dynamics|March 9, 2024
Sakuranetin ameliorates streptozotocin-induced diabetes in rodents by inhibiting caspase-3 activity, modulating hematological parameters, and suppressing inflammatory cytokines: a molecular docking and dynamics studyHassan H Almasoudi, Mohammed H Nahari, Abdulkarim S Binshaya, et al.Journal of Biomolecular Structure & Dynamics|March 9, 2024
Potential bioactive compound and hub gene identification of endometrial carcinoma using systems biologyShanmugapriya Rishikesan, Parthiban Brindhadevi, Rajakumari K, et al.Journal of Biomolecular Structure & Dynamics|March 12, 2024
In-silico analysis of potential anticancer drug for NEK7 and PPP1CA proteins overexpressed in pancreatic ductal adenocarcinomaSafa Adrees, Anam Imtiaz, Aiman Yaseen, et al.Journal of Biomolecular Structure & Dynamics|March 9, 2024
A network pharmacological approach for the identification of potential therapeutic targets of Brahmi Nei - a complex traditional Siddha formulationAgnes Preethy H, Yanamandram Balasubramanian Venkatakrishnan, Vigneshwar Ramakrishnan, et al.Journal of Biomolecular Structure & Dynamics|March 6, 2024
In silico analysis of small molecule compounds based on pharmacophore- and backbone-leaping peroxiredoxin 1 (PRDX1) inhibitorsNingying Zheng, Huiting Tan, Tianli Lai, et al.Journal of Biomolecular Structure & Dynamics|March 15, 2024
Multistate B- to A- transition in protein-DNA Binding - How well is it described by current AMBER force fields?Petr Jurečka, Marie Zgarbová, Filip Černý, et al.Journal of Biomolecular Structure & Dynamics|March 18, 2024
Synergistic inhibition mechanism of quinazolinone and piperacillin on penicillin-binding protein 2a: a promising approach for combating methicillin-resistant Staphylococcus aureusFangfang Jiao, Weirong Cui, Pinkai Wang, et al.Journal of Biomolecular Structure & Dynamics|March 19, 2024
A novel stacking-based predictor for accurate prediction of antimicrobial peptidesSameera Kanwal, Roha Arif, Saeed Ahmed, et al.Journal of Biomolecular Structure & Dynamics|March 18, 2024
Unraveling the ligand specificity and promiscuity of the Staphylococcus aureus NorA efflux pump: a computational studyEsra Büşra Işık, Onur SerçinoğluPageof 935