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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

Author

S. Bhattacharya

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Preprint Aug 2026

Beyond second-long trajectory of the Trp-cage peptide generated using a Kinetic Monte Carlo model derived from molecular dynamics

We present a kinetic Monte Carlo (KMC) modeling approach to describe the stochastic dynamics of a peptide molecule spanning nanosecond to second timescales. The dynamics of protein conformational changes is interpreted at a local level in terms of dihedral transitions. Taking Trp-cage miniprotein as an example, the KMC...

A. Chatterjee, Rishav Deb, Gauri Thapa et al. · 0 citations

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