7 citations · 7 across the 2 of their papers we have counts for
2 papers
physics.comp-ph2021
Accelerating the 3D-RISM theory of molecular solvation with treecode summation and cut-offs
Leighton Wilson, Robert Krasny, Tyler Luchko
The 3D reference interaction site model (3D-RISM) of molecular solvation is a powerful tool for computing the equilibrium thermodynamics and density distributions of solvents, such…
physics.chem-ph2021★ 7 cited
Integral equation models for solvent in macromolecular crystals
Jonathon G. Gray, George M. Giambaşu, David A. Case +1
Solvent can occupy up to ~70% of macromolecular crystals and hence having models that predict solvent distributions in periodic systems could improve in the interpretation of cryst…