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20182026
most citedAccelerated calculation of configurational free energy using a combination of reverse Monte Carlo and neural network models: Adsorption isotherm for 2D square and triangular lattices

12 citations · 16 across the 7 of their papers we have counts for

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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…