Alejandro Varela-Rial
3PUBLICATIONS
9CO-AUTHORS
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Publications (3)
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|Sep 11, 2023
NNP/MM: Accelerating Molecular Dynamics Simulations with Machine Learning Potentials and Molecular Mechanics.Raimondas Galvelis, Alejandro Varela-Rial, Stefan Doerr
|Jan 03, 2022
PlayMolecule Glimpse: Understanding Protein-Ligand Property Predictions with Interpretable Neural Networks.Alejandro Varela-Rial, Iain Maryanow, Maciej Majewski
|May 15, 2020
SkeleDock: A Web Application for Scaffold Docking in PlayMolecule.Alejandro Varela-Rial, Maciej Majewski, Alberto Cuzzolin
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Frequent Collaborators
3 joint publications
Gianni De Fabritiis
2 joint publications
Maciej Majewski
1 joint publications
Gerard Martínez-Rosell
1 joint publications
Raimondas Galvelis
1 joint publications
Stefan Doerr
1 joint publications
Roberto Fino
1 joint publications
Peter Eastman
1 joint publications
Thomas E Markland
1 joint publications
John D Chodera
