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Alejandro Varela-Rial

3PUBLICATIONS
9CO-AUTHORS
Microelectromechanical systems (MEMS)Deep learningBiomolecular modelling and design
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Journal

Publications (3)

Sort by Publication Date:
|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

Frequent Collaborators

3 joint publications

Gianni De Fabritiis

2 joint publications

Maciej Majewski

1 joint publications

Gerard Martínez-Rosell

1 joint publications

Raimondas Galvelis

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