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Sponsored Design Multi-Agent AI Systems Using MCP and A2A: Engineer your own Pyt Design Multi-Agent AI Systems Using MCP and A2A: Engineer your own Pyt

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Mark J. DelloStritto

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Open access Aug 2026

Coarse-Graining Reshapes Knot Dynamics in Polymers and Proteins

Coarse-grained (CG) molecular dynamics (MD) simulations offer an efficient route to explore long-time-scale dynamics of knots in proteins and polymers. Despite extensive studies of knots using both atomistic (AA-) and CG-MD simulations, systematic comparisons of how coarse-graining alters knot relaxation mechanisms, in...

S. Sarkar, Mark J. DelloStritto, Michael L. Klein · 0 citations

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