activity
20202023
most citedSize-and-Shape Space Gaussian Mixture Models for Structural Clustering of Molecular Dynamics Trajectories

53 citations · 91 across the 3 of their papers we have counts for

collaborators
Showing 2020 · physics.chem-phShow all

1 paper · 2 filters

physics.chem-ph2020★ 3 cited

Implicit Solvation Using the Superposition Approximation (IS-SPA): Extension to Polar Solutes in Chloroform

Peter T. Lake, Max A. Mattson, Martin McCullagh

Efficient, accurate, and adaptable implicit solvent models remain a significant challenge in the field of molecular simulation. A recent implicit solvent model, IS-SPA, based on ap…