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Journal of Biomolecular Structure & Dynamics|September 25, 2023
Lead identification against Mycobacterium tuberculosis using highly enriched active molecules against pantothenate synthetaseMuhammad Hassam, Kanwal Khan, Khurshid Jalal, et al.Journal of Biomolecular Structure & Dynamics|September 21, 2023
Potent multi-target natural inhibitors against SARS-CoV-2 from medicinal plants of the Himalaya: a discovery from hybrid machine learning, chemoinformatics, and simulation assisted screeningPriyanka Maiti, Mahesha Nand, Shalini Mathpal, et al.Journal of Biomolecular Structure & Dynamics|September 23, 2023
Network pharmacology and molecular docking study-based approach to explore mechanism of benzimidazole-based anthelmintics for the treatment of lung cancerAakriti Garg, Sonali Karhana, Aysha Bano, et al.Journal of Biomolecular Structure & Dynamics|September 28, 2023
Arylcoumarin and novel biscoumarin derivatives as potent inhibitors of human glutathione S-transferaseLalehan Ozalp, Berk Orhan, Mustafa Muhlis Alparslan, et al.Journal of Biomolecular Structure & Dynamics|July 19, 2023
smAMPsTK: a toolkit to unravel the smORFome encoding AMPs of plant speciesMohini Jaiswal, Shailesh KumarJournal of Biomolecular Structure & Dynamics|July 19, 2023
Metabolites profiling and cheminformatics bioprospection of selected medicinal plants against the main protease and RNA-dependent RNA polymerase of SARS-CoV-2Adedayo Ayodeji Lanrewaju, Abimbola Motunrayo Enitan-Folami, Martin M Nyaga, et al.Journal of Biomolecular Structure & Dynamics|July 19, 2023
Intrinsic proclivity of left-handed conformation in large Nest motif peptides inferred from molecular dynamicsSubhankar Sahu, Raja Banerjee, Debnath PalJournal of Biomolecular Structure & Dynamics|July 19, 2023
Pharmacological mechanism of quercetin in the treatment of colorectal cancer by network pharmacology and molecular simulationLe Fu, Linan Zhao, Fei Li, et al.Journal of Biomolecular Structure & Dynamics|July 21, 2023
Design, synthesis and antimicrobial activity of novel quinoline derivatives: an in silico and in vitro studyVishal K Singh, Priyanka Kumari, Anup Som, et al.Journal of Biomolecular Structure & Dynamics|July 14, 2023
Development, validation and analysis of a human profurin 3D model using comparative modeling and molecular dynamics simulationsBrenda de Souza Ferrari, Camilo Henrique da Silva Lima, Magaly Girão AlbuquerquePageof 931