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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

A kinetic Monte Carlo modeling approach to describe the stochastic dynamics of a peptide molecule spanning nanosecond to second timescales is presented, and it is shown that with the correlations built-in, the KMC model closely matches MD.

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

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