Sara Romeo Atance

Publication Activity (10 Years)

Years Active: 2022-2024
Publications (10 Years): 2

Top Topics

High Throughput

Molecular Dynamics

Reinforcement Learning

Top Venues

Mach. Learn. Sci. Technol.

J. Chem. Inf. Model.

Publications

Juan Viguera Diez, Sara Romeo Atance, Ola Engkvist, Simon Olsson
Generation of conformational ensembles of small molecules via surrogate model-assisted molecular dynamics. Mach. Learn. Sci. Technol. 5 (2) (2024)
Sara Romeo Atance, Juan Viguera Diez, Ola Engkvist, Simon Olsson, Rocío Mercado
Drug Design Using Reinforcement Learning with Graph-Based Deep Generative Models. J. Chem. Inf. Model. 62 (20) (2022)