collaborators

1 paper

cond-mat.soft2026

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

Abhijit Chatterjee, Rishav Deb, Gauri Thapa +1

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…