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Journal of Biomolecular Structure & Dynamics|August 18, 2021
In silico trials to design potent inhibitors against matrilysin (MMP-7)Sudheer Kumar Katari, Chiranjeevi Pasala, Ravina Madhulitha Nalamolu, et al.Journal of Biomolecular Structure & Dynamics|September 13, 2021
3-(5-(1H-imidazol-1-yl) pent-1-en-1-yl)-9-ethyl-9H-carbazole: synthesis, characterization (IR, NMR), DFT, antimicrobial-antioxidant activities and docking studyYasemin Ünver, Nevin Süleymanoğlu, Reşat Ustabaş, et al.Journal of Biomolecular Structure & Dynamics|August 30, 2021
Drug repurposing combined with MM/PBSA based validation strategies towards MEK inhibitors screeningMuthu Kumar Thirunavukkarasu, Ramanathan KaruppasamyJournal of Biomolecular Structure & Dynamics|August 30, 2021
Organotin (IV) complexes with sulphonyl hydrazide moiety. Design, synthesis, characterization, docking studies, cytotoxic and anti-leishmanial activityRehman Zafar, Khadija Shahid, Lee D Wilson, et al.Journal of Biomolecular Structure & Dynamics|February 6, 2023
Antiplasmodial activity of coumarins isolated from Polygala boliviensis: in vitro and in silico studiesDanielle Figuerêdo da Silva, Jéssica Lima de Souza, Diego Mota da Costa, et al.Journal of Biomolecular Structure & Dynamics|February 6, 2023
Synthesis, structure elucidation, Hirshfeld surface analysis, DFT, and molecular docking of new 6-bromo-imidazo[4,5-b]pyridine derivatives as potential tyrosyl-tRNA synthetase inhibitorsZainab Jabri, Aravazhi Amalan Thiruvalluvar, Riham Sghyar, et al.Journal of Biomolecular Structure & Dynamics|February 6, 2023
Computational analysis of the effect of Gly100Ala mutation on the thermostability of SazCAShashi Kumar, Soumya Biswas, Parag A DeshpandeJournal of Biomolecular Structure & Dynamics|February 6, 2023
Identification of potential novel inhibitors against glutamine synthetase enzyme of Leishmania major by using computational toolsMohammad Kashif, Naidu SubbaraoJournal of Biomolecular Structure & Dynamics|February 12, 2023
Molecular dynamics simulations reveal the effect of mutations in the RING domains of BRCA1-BARD1 complex and its relevance to the prognosis of breast cancerKikrusenuo Kiewhuo, Lipsa Priyadarsinee, Himakshi Sarma, et al.Journal of Biomolecular Structure & Dynamics|February 7, 2023
Evaluation of free radical quenching, anti-inflammatory activity together with anticancer potential of Lychnis coronaria and characterization of novel molecules from its extract through high resolution-liquid chromatography mass spectrometry coupled to structural biochemistry approachShabir Ahmad Ganai, Mudasir A Mir, Basit Amin Shah, et al.Pageof 935