Alejandro Varela-Rial

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2020-2023
Publications (10 Years): 3

Top Topics

Molecularly Imprinted

Molecular Dynamics

Machine Learning

Top Venues

Journal of chemical information and modeling

Acellera Ltd

Universidade de Santiago de Compostela (BSC)

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

Affiliation History

Acellera Ltd

United Kingdom

Scientist and Software Developer

Education History

Universidade de Santiago de Compostela

Spain

BSC

Universitat Pompeu Fabra

Spain

MSC

Publications

Raimondas Galvelis, Alejandro Varela-Rial, Stefan Doerr, Roberto Fino, Peter Eastman, Thomas E Markland, John D Chodera, Gianni De Fabritiis
NNP/MM: Accelerating Molecular Dynamics Simulations with Machine Learning Potentials and Molecular Mechanics. Journal of chemical information and modeling (2023)
Alejandro Varela-Rial, Iain Maryanow, Maciej Majewski, Stefan Doerr, Nikolai Schapin, José Jiménez-Luna, Gianni De Fabritiis
PlayMolecule Glimpse: Understanding Protein-Ligand Property Predictions with Interpretable Neural Networks. Journal of chemical information and modeling 62 (2) (2022)
Alejandro Varela-Rial, Maciej Majewski, Alberto Cuzzolin, Gerard Martínez-Rosell, Gianni De Fabritiis
SkeleDock: A Web Application for Scaffold Docking in PlayMolecule. Journal of chemical information and modeling 60 (6) (2020)