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Journal of Biomolecular Structure & Dynamics|September 30, 2023
Integrated gene expression profiling and functional enrichment analyses to discover biomarkers and pathways associated with Guillain-Barré syndrome and autism spectrum disorder to identify new therapeutic targetsRizone Al Hasib, Md Chayan Ali, Md Habibur Rahman, et al.Journal of Biomolecular Structure & Dynamics|September 29, 2023
Molecular screening reveals Variolin B as a multitargeted inhibitor of lung cancer: a molecular docking-based fingerprinting and molecular dynamics simulation studyHassan H Almasoudi, Mutaib M Mashraqi, Saleh Alshamrani, et al.Journal of Biomolecular Structure & Dynamics|September 27, 2023
DFT calculations of copper complexes mimicking superoxide dismutase and docking studies and molecular dynamics of the transition metal complex binding to serum albuminTalis Uelisson da Silva, Everton Tomaz Silva, Magaly Girão Albuquerque, et al.Journal of Biomolecular Structure & Dynamics|September 27, 2023
Exploring natural products as multi-target-directed drugs for Parkinson's disease: an in-silico approach integrating QSAR, pharmacophore modeling, and molecular dynamics simulationsYassir Boulaamane, Iman Touati, Nainee Goyal, et al.Journal of Biomolecular Structure & Dynamics|September 22, 2023
In-silico screening and molecular dynamics simulation of quinazolinone derivatives as PARP1 and STAT3 dual inhibitors: a novel DML approachesS Dilipkumar, V Karthik, Shanmuganathan Dk, et al.Journal of Biomolecular Structure & Dynamics|September 21, 2023
Myricetin 3-rhamnoside retards the proliferation of hormone-independent breast cancer cells by targeting hyaluronidaseShilpi Singh, Akhilesh Kumar Maurya, Abha Meena, et al.Journal of Biomolecular Structure & Dynamics|September 21, 2023
Identification of novel metallo-β-lactamases inhibitors using ligand-based pharmacophore modelling and structure-based virtual screeningMohammad Ezati, Ali Ahmadi, Esmaeil Behmard, et al.Journal of Biomolecular Structure & Dynamics|October 4, 2023
Optimization and bio-fabrication of phyto-mediated silver nanoparticles (Ag-NPs) for antibacterial potentialAnsar Mehmood, Sobia Zahir, Muhammad Abdul Rauf Khan, et al.Journal of Biomolecular Structure & Dynamics|October 3, 2023
Evaluation of anticancer activity of Gmelina asiatica leaves, in-vitro and in-silico studiesRasha Ksirri, Kancharla Bhanukiran, Swapan Maity, et al.Journal of Biomolecular Structure & Dynamics|October 3, 2023
Partial syntheses of aromatic amides: their anti-urease potential and docking studiesPatricia Akpomedaye Onocha, Ejike Onwudiegwu Okpala, Muhammad Shaiq Ali, et al.Pageof 935