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Sara Romeo Atance

2 results in Authors: Sara Romeo Atance

Theoretical and Computational Chemistry

De novo drug design using reinforcement learning with graph-based deep generative models

Sara Romeo Atance, Juan Viguera Diez, Ola Engkvist, Simon Olsson, Rocío Mercado

Version 1 posted 26 July 2021

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Theoretical and Computational Chemistry

Generation of conformational ensembles of small molecules via Surrogate Model-Assisted Molecular Dynamics

Juan Viguera Diez, Sara Romeo Atance, Ola Engkvist, Simon Olsson

Version 1 posted 24 November 2023

471

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