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Water-Glycan Interactions Drive the SARS-CoV-2 Spike Dynamics: Insights into Glycan-Gate Control and Camouflage Mechanism.

4 weeks ago 1 week agoJean-Philip Piquemalnewsadaptive sampling, covid-19, molecular dynamics, polarizable force field, polarizable force field AMOEBA, SARS-Cov-2, spike protein, Tinker-HP

Check our new paper in Chemical Science: Water-Glycan Interactions Drive the SARS-CoV-2 Spike Dynamics: Insights into Glycan-Gate Control and Camouflage Mechanism. M. Blazhynska, L. Lagardère, C. Liu, O. Adjoua, P. Ren, J.-P. Piquemal, Chemical Science, 2024,...

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