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20122026
most citedFolding a Small Protein Using Harmonic Linear Discriminant Analysis

67 citations · 152 across the 10 of their papers we have counts for

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cond-mat.stat-mech2021

Solubility prediction of organic molecules with molecular dynamics simulations

Zoran Bjelobrk, Dan Mendels, Tarak Karmakar +2

We present a molecular dynamics simulation method for the computation of the solubility of organic crystals in solution. The solubility is calculated based on the equilibrium free…