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Journal of Biomolecular Structure & Dynamics|March 18, 2024
Discovery of novel IDO1/TDO2 dual inhibitors: a consensus Virtual screening approach with molecular dynamics simulations, and binding free energy analysisNaufa Hanif, Suat SariJournal of Biomolecular Structure & Dynamics|March 18, 2024
In silico screening of selective ATP mimicking inhibitors targeting the Plasmodium falciparum Grp94Melissa Louise Stofberg, Florence Lisa Muzenda, Ikechukwu Achilonu, et al.Journal of Biomolecular Structure & Dynamics|March 19, 2024
An integrated network pharmacology approach to discover therapeutic mechanisms of Commiphora wightii for the treatment of Bell's palsyAyesha Tabassum, Habibullah Nadeem, Farrukh Azeem, et al.Journal of Biomolecular Structure & Dynamics|March 7, 2024
Distinct characteristics of putative archaeal 5-methylcytosine RNA methyltransferases unveil their substrate specificities and evolutionary ancestriesSayan Saha, Suraj Kumar Mandal, Shankar Prasad KanaujiaJournal of Biomolecular Structure & Dynamics|March 8, 2024
The effect of phosphorylation on the conformational dynamics and allostery of the association of death-associated protein kinase with calmodulinXiaolong Li, Canglong Hou, Mingyuan Yang, et al.Journal of Biomolecular Structure & Dynamics|March 7, 2024
Repurposing of SARS-CoV-2 compounds against Marburg Virus using MD simulation, mm/GBSA, PCA analysis, and free energy landscapeSanjay Kumar, Rajni Dubey, Richa Mishra, et al.Journal of Biomolecular Structure & Dynamics|March 4, 2024
Computational and in vitro screening validates the repositioning potential of Coxibs as anti-fibrotic agentsShraddha Karande, Biswajit Das, Sushree Subhadra Acharya, et al.Journal of Biomolecular Structure & Dynamics|February 14, 2024
Design, synthesis, in-vitro biological profiling and molecular docking of some novel oxazolones and imidazolones exhibiting good inhibitory potential against acetylcholine esteraseIqra Saleem Naz Babari, Muhammad Islam, Hamid Saeed, et al.Journal of Biomolecular Structure & Dynamics|February 14, 2024
Behenic Acid as a multi-target inhibiting antibacterial phytochemical against Vibrio parahaemolyticus and Aeromonas hydrophila for effective management of aquaculture infections: an in-silico, in-vitro & in-vivo experimentationLokesh Ravi, Ajith Kumar K, Shree Kumari G R, et al.Journal of Biomolecular Structure & Dynamics|February 15, 2024
Exploring promising natural compounds for breast cancer treatment: in silico molecular docking targeting WDR5-MYC protein interactionAmka Nagar, Amit Dubey, Ankur Sharma, et al.Pageof 935