Search Results for author:
Found 2 papers, 2 papers with code
Machine-learned molecular mechanics force field for the simulation of protein-ligand systems and beyond
The development of reliable and extensible molecular mechanics (MM) force fields -- fast, empirical models characterizing the potential energy surface of molecular systems -- is indispensable for biomolecular simulation and computer-aided drug design.
Formalizing Atom-typing and the Dissemination of Force Fields with Foyer
A key component to enhancing reproducibility in the molecular simulation community is reducing ambiguity in the parameterization of molecular models.
Computational Physics Soft Condensed Matter
Cannot find the paper you are looking for? You can
Submit a new open access paper.
