Rocco Meli

Scopus Author ID ResearcherID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2018-2021
Publications (10 Years): 3

Top Topics

Preterm Infants

Machine Learning

Molecular Dynamics Simulations

Top Venues

Journal of cheminformatics

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

Rocco Meli, Andrew Anighoro, Mike J Bodkin, Garrett M Morris, Philip Charles Biggin
Learning protein-ligand binding affinity with atomic environment vectors. Journal of cheminformatics 13 (1) (2021)
Rocco Meli, Philip Charles Biggin
spyrmsd: symmetry-corrected RMSD calculations in Python. Journal of cheminformatics 12 (1) (2020)
Elisa Liberatore, Rocco Meli, Ursula Röthlisberger
A Versatile Multiple Time Step Scheme for Efficient ab Initio Molecular Dynamics Simulations. Journal of chemical theory and computation 14 (6) (2018)