BiochemistrybioRxivPreprint
De Novo Hydration of Cryo-EM Reconstructions through Molecular Dynamics Simulations of the Excess Chemical Potential
Qinfang Sun, Sriram Aiyer, Avik Biswas…·Ronald M. Levy
This paper introduces a method using molecular dynamics simulations to predict water positions in cryo-EM maps by analyzing excess chemical potential, showing high agreement with experimental data.
DOI 10.1101/2025.05.23.655847