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Journal of Biomolecular Structure & Dynamics|June 28, 2023
An insight into structure-activity relationship of naturally derived biological macromolecules for the treatment of Alzheimer's disease: a reviewDebojyoti Halder, Subham Das, Alex JosephJournal of Biomolecular Structure & Dynamics|February 24, 2026
Molecular determinants of K36 binding in SARS-CoV-2 main protease revealed by MD simulations and alanine mutagenesisMohamed L AbouYoussef, Khaled E El-Kelany, Sara A Abdel Gaber, et al.Journal of Biomolecular Structure & Dynamics|February 5, 2024
Unveiling the molecular interaction of hepatitis B virus inhibitor, entecavir with human serum albumin through computational, microscopic and spectroscopic approachesMujaheed Abubakar, Saharuddin B Mohamad, Adyani Azizah Abd Halim, et al.Journal of Biomolecular Structure & Dynamics|February 5, 2024
Aromatase inhibitors identified from Saraca asoca to treat infertility in women with polycystic ovary syndrome via in silico and in vivo studiesKuppachi Himaja, Kandasamy Veerapandiyan, Balasundaram UshaJournal of Biomolecular Structure & Dynamics|February 5, 2024
Discovery of thiazolidinedione-based pancreatic lipase inhibitors as anti-obesity agents: synthesis, in silico studies and pharmacological investigationsPrashant Dhiman, Nisha Yadav, Prashant S Auti, et al.Journal of Biomolecular Structure & Dynamics|February 9, 2024
Identifying inflammation-related targets of natural lactones using network pharmacology, molecular modeling and in vitro approachesNancy Tripathi, Poorvi Saraf, Nivedita Bhardwaj, et al.Journal of Biomolecular Structure & Dynamics|February 6, 2024
Enzyme engineering of choline oxidase for improving stabilitySonia Kaushik, Rashmi Rameshwari, Shilpa S ChapadgaonkarJournal of Biomolecular Structure & Dynamics|February 6, 2024
In-silico and in-vitro evaluation of antifungal bioactive compounds from Streptomyces sp. strain 130 against Aspergillus flavusMunendra Kumar, Parveen, Nafis Raj, et al.Journal of Biomolecular Structure & Dynamics|February 22, 2024
Accelerating the identification of the allergenic potential of plant proteins using a stacked ensemble-learning frameworkPhasit Charoenkwan, Pramote Chumnanpuen, Nalini Schaduangrat, et al.Journal of Biomolecular Structure & Dynamics|February 21, 2024
Computational assessment of marine natural products as LasR inhibitors for attenuating quorum sensing in Pseudomonas aeruginosaSiva Singothu, Vasundhra BhandariPageof 932