Jonathan Alexis Semelak

Publication Activity (10 Years)

Years Active: 2020-2024
Publications (10 Years): 2

Top Topics

Machine Learning Approaches

Terms Of Computational Efficiency

Multiscale Representation

Root Mean Square

Top Venues

J. Chem. Inf. Model.

Publications

Juan S. Grassano, Ignacio Pickering, Adrian E. Roitberg, Mariano C. González Lebrero, Dario A. Estrin, Jonathan Alexis Semelak
Assessment of Embedding Schemes in a Hybrid Machine Learning/Classical Potentials (ML/MM) Approach. J. Chem. Inf. Model. 64 (10) (2024)
Jonathan Alexis Semelak, Federica Battistini, Rafael Radi, Madia Trujillo, Ari Zeida, Dario A. Estrin
Multiscale Modeling of Thiol Overoxidation in Peroxiredoxins by Hydrogen Peroxide. J. Chem. Inf. Model. 60 (2) (2020)