Intramolecular and intermolecular interactions of protein kinase B define its activation in vivo. by Véronique Calleja, Damien Alcor, Michel Laguerre, Jongsun Park, Borivoj Vojnovic, Brian A Hemmings, Julian Downward, Peter J Parker, Banafshé Larijani

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The structural basis of the G protein–coupled receptor and ion channel axis by Yulin Luo, Liping Sun, Yao Peng

“…Through unraveling the intricacies of the GPCR-ion channel axis, we aim to shed light on the sophisticated intermolecular dynamics within these pivotal membrane protein families, ultimately guiding the development of precise therapeutic interventions.…”
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Transcriptomic, mutational and structural bioinformatics approaches to explore the therapeutic role of FAP in predominant cancer types by Gayathri Ashok, Abdullah F. AlAsmari, Fawaz AlAsmari, Paul Livingstone, Anand Anbarasu, Sudha Ramaiah

“…The tumor-specific expression and its critical overall survival suggest the inhibitors of FAP for potential cancer therapeutic intervention and hindering tumor microenvironment-driven cancer progression.…”
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Integrative computational approaches identify haptoglobin inhibitors to modulate erythrocyte sedimentation rate in trauma-linked inflammatory and haematological malignancies by Abdulaziz H. Al Khzem, Shaban Ahmad

“…Moreover, a 100 ns molecular dynamics (MD) simulation using the TIP3P water model in the NPT ensemble confirmed the stability of the protein-ligand complexes, with acceptable deviations, fluctuations, and intermolecular interactions. MM/GBSA calculations on the simulation trajectories supported these findings by providing binding free energy and complex energy estimations for all protein-ligand complexes. …”
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