ArticleMolecules (Basel, Switzerland)2026
Galloylation-Driven Anchoring of the Asp325-Asp336 Ridge: The Molecular Logic Behind the Superior Kinetic Stabilization of HMPV Fusion Protein by Green Tea Dimeric Catechins.
Article in Molecules (Basel, Switzerland), 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
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Who cites it
2 citing papers in PubMed.
- Exploiting the T790M Gatekeeper: A Theoretical Blueprint for Non-Covalent Inhibition of inPharmaceutics · 2026Article
- Dual-Site Acetylcholinesterase Inhibition and Multiscale Stability of Fused Quinoline Sulfonamides: A Chemoinformatic GA-MLR and Molecular Dynamics Study.International journal of molecular sciences · 2026Article
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8 authors.
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Abstract
The human metapneumovirus (HMPV) Fusion (F) glycoprotein is a high-priority target for "fusion-locking" agents that stabilize its metastable prefusion state. While monomeric catechins like EGCG are known antivirals, the molecular basis for the superior activity of structurally complex dimeric catechins remains poorly understood. We employed an advanced biophysical workflow, integrating 100 ns all-atom molecular dynamics (MD), free energy landscape (FEL) analysis, and MM/GBSA thermodynamic integration to decode the Structure-Dynamics Relationship (SDR) of 210
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