Alejandro Varela-Rial

Affiliations

Acellera Labs, Doctor Trueta 183, Barcelona, Spain.
Computational Science Laboratory, Universitat Pompeu Fabra, Barcelona Biomedical Research Park (PRBB), Barcelona, Spain.

ORCID: 0000-0002-6918-1765

Publications (7)

SkeleDock: A Web Application for Scaffold Docking in PlayMolecule.

Journal of chemical information and modeling

Avec: Alejandro Varela-Rial , Maciej Majewski , Alberto Cuzzolin , Gerard Martínez-Rosell , Gianni De Fabritiis

GPCRmd uncovers the dynamics of the 3D-GPCRome.

Nature methods

Avec: Ismael Rodríguez-Espigares , Mariona Torrens-Fontanals , Johanna K S Tiemann , David Aranda-García , Juan Manuel Ramírez-Anguita , Tomasz Maciej Stepniewski , Nathalie Worp , Alejandro Varela-Rial , Adrián Morales-Pastor , Brian Medel-Lacruz , Gáspár Pándy-Szekeres , Eduardo Mayol , Toni Giorgino , Jens Carlsson , Xavier Deupi , Slawomir Filipek , Marta Filizola , José Carlos Gómez-Tamayo , Angel Gonzalez , Hugo Gutiérrez-de-Terán , Mireia Jiménez-Rosés , Willem Jespers , Jon Kapla , George Khelashvili , Peter Kolb , Dorota Latek , Maria Marti-Solano , Pierre Matricon , Minos-Timotheos Matsoukas , Przemyslaw Miszta , Mireia Olivella , Laura Perez-Benito , Davide Provasi , Santiago Ríos , Iván R Torrecillas , Jessica Sallander , Agnieszka Sztyler , Silvana Vasile , Harel Weinstein , Ulrich Zachariae , Peter W Hildebrand , Gianni De Fabritiis , Ferran Sanz , David E Gloriam , Arnau Cordomi , Ramon Guixà-González , Jana Selent

LigVoxel: inpainting binding pockets using 3D-convolutional neural networks.

Bioinformatics (Oxford, England)

Avec: Miha Skalic , Alejandro Varela-Rial , José Jiménez , Gerard Martínez-Rosell , Gianni De Fabritiis

PlayMolecule Glimpse: Understanding Protein-Ligand Property Predictions with Interpretable Neural Networks.

Journal of chemical information and modeling

Avec: Alejandro Varela-Rial , Iain Maryanow , Maciej Majewski , Stefan Doerr , Nikolai Schapin , José Jiménez-Luna , Gianni De Fabritiis

PURA syndrome-causing mutations impair PUR-domain integrity and affect P-body association.

eLife

Avec: Marcel Proske , Robert Janowski , Sabrina Bacher , Hyun-Seo Kang , Thomas Monecke , Tony Koehler , Saskia Hutten , Jana Tretter , Anna Crois , Lena Molitor , Alejandro Varela-Rial , Roberto Fino , Elisa Donati , Gianni De Fabritiis , Dorothee Dormann , Michael Sattler , Dierk Niessing

Publisher Correction: GPCRmd uncovers the dynamics of the 3D-GPCRome.

Nature methods

Avec: Ismael Rodríguez-Espigares , Mariona Torrens-Fontanals , Johanna K S Tiemann , David Aranda-García , Juan Manuel Ramírez-Anguita , Tomasz Maciej Stepniewski , Nathalie Worp , Alejandro Varela-Rial , Adrián Morales-Pastor , Brian Medel-Lacruz , Gáspár Pándy-Szekeres , Eduardo Mayol , Toni Giorgino , Jens Carlsson , Xavier Deupi , Slawomir Filipek , Marta Filizola , José Carlos Gómez-Tamayo , Angel Gonzalez , Hugo Gutiérrez-de-Terán , Mireia Jiménez-Rosés , Willem Jespers , Jon Kapla , George Khelashvili , Peter Kolb , Dorota Latek , Maria Marti-Solano , Pierre Matricon , Minos-Timotheos Matsoukas , Przemyslaw Miszta , Mireia Olivella , Laura Perez-Benito , Davide Provasi , Santiago Ríos , Iván R Torrecillas , Jessica Sallander , Agnieszka Sztyler , Silvana Vasile , Harel Weinstein , Ulrich Zachariae , Peter W Hildebrand , Gianni De Fabritiis , Ferran Sanz , David E Gloriam , Arnau Cordomi , Ramon Guixà-González , Jana Selent

NNP/MM: Accelerating Molecular Dynamics Simulations with Machine Learning Potentials and Molecular Mechanics.

Journal of chemical information and modeling

Avec: Raimondas Galvelis , Alejandro Varela-Rial , Stefan Doerr , Roberto Fino , Peter Eastman , Thomas E Markland , John D Chodera , Gianni De Fabritiis

Réseau de co-auteurs

Gianni De Fabritiis 7 collaborations

Maciej Majewski 2 collaborations

Gerard Martínez-Rosell 2 collaborations

Ismael Rodríguez-Espigares 2 collaborations

Mariona Torrens-Fontanals 2 collaborations

Johanna K S Tiemann 2 collaborations

David Aranda-García 2 collaborations

Juan Manuel Ramírez-Anguita 2 collaborations

Tomasz Maciej Stepniewski 2 collaborations

Nathalie Worp 2 collaborations

Adrián Morales-Pastor 2 collaborations

Brian Medel-Lacruz 2 collaborations

Gáspár Pándy-Szekeres 2 collaborations

Eduardo Mayol 2 collaborations

Toni Giorgino 2 collaborations

Jens Carlsson 2 collaborations

Xavier Deupi 2 collaborations

Slawomir Filipek 2 collaborations

Marta Filizola 2 collaborations

José Carlos Gómez-Tamayo 2 collaborations

Angel Gonzalez 2 collaborations

Hugo Gutiérrez-de-Terán 2 collaborations

Mireia Jiménez-Rosés 2 collaborations

Willem Jespers 2 collaborations

Jon Kapla 2 collaborations

George Khelashvili 2 collaborations

Peter Kolb 2 collaborations

Dorota Latek 2 collaborations

Maria Marti-Solano 2 collaborations

Pierre Matricon 2 collaborations

Minos-Timotheos Matsoukas 2 collaborations

Przemyslaw Miszta 2 collaborations

Mireia Olivella 2 collaborations

Laura Perez-Benito 2 collaborations

Davide Provasi 2 collaborations

Santiago Ríos 2 collaborations

Iván R Torrecillas 2 collaborations

Jessica Sallander 2 collaborations

Agnieszka Sztyler 2 collaborations

Silvana Vasile 2 collaborations

Harel Weinstein 2 collaborations

Ulrich Zachariae 2 collaborations

Peter W Hildebrand 2 collaborations

Ferran Sanz 2 collaborations

David E Gloriam 2 collaborations

Arnau Cordomi 2 collaborations

Ramon Guixà-González 2 collaborations

Jana Selent 2 collaborations

Stefan Doerr 2 collaborations

Roberto Fino 2 collaborations

Alberto Cuzzolin 1 collaboration

Miha Skalic 1 collaboration

José Jiménez 1 collaboration

Iain Maryanow 1 collaboration

Nikolai Schapin 1 collaboration

José Jiménez-Luna 1 collaboration

Marcel Proske 1 collaboration

Robert Janowski 1 collaboration

Sabrina Bacher 1 collaboration

Hyun-Seo Kang 1 collaboration

Thomas Monecke 1 collaboration

Tony Koehler 1 collaboration

Saskia Hutten 1 collaboration

Jana Tretter 1 collaboration

Anna Crois 1 collaboration

Lena Molitor 1 collaboration

Elisa Donati 1 collaboration

Dorothee Dormann 1 collaboration

Michael Sattler 1 collaboration

Dierk Niessing 1 collaboration

Raimondas Galvelis 1 collaboration

Peter Eastman 1 collaboration

Thomas E Markland 1 collaboration

John D Chodera 1 collaboration