21 citations · 26 across the 4 of their papers we have counts for
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physics.chem-ph2019★ 5 cited
Computing Long Timescale Biomolecular Dynamics using Quasi-Stationary Distribution Kinetic Monte Carlo (QSD-KMC)
Animesh Agarwal, Nicolas W. Hengartner, S. Gnanakaran +1
It is a challenge to obtain an accurate model of the state-to-state dynamics of a complex biological system from molecular dynamics (MD) simulations. In recent years, Markov State…
physics.chem-ph2013★ 21 cited
Sodium Chloride interaction with solvated and crystalline cellulose : sodium ion affects the tetramer and fibril in aqueous solution
Giovanni Bellesia, S. Gnanakaran
Inorganic salts are a natural component of biomass which have a significant effect on the product yields from a variety of biomass conversion processes. Understanding their effect…