polarizable force field | piquemalresearch.com | Multiscale Quantum Chemistry and High Performance Computing

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

3 months ago 2 months 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,...

Continue reading →