Selected Publications

• Large scale investigation of GPCR molecular dynamics data uncovers allosteric sites and lateral gateways. David Aranda-García, Tomasz Maciej Stepniewski, Mariona Torrens-Fontanals, Adrian García-Recio, Marta Lopez-Balastegui, Brian Medel-Lacruz, Adrián Morales-Pastor, Alejandro Peralta-García, Miguel Dieguez-Eceolaza, David Sotillo-Nuñez, Tianyi Ding, Matthäus Drabek, Célien Jacquemard, Jakub Jakowiecki, Willem Jespers, Mireia Jiménez-Rosés, Víctor Jun-Yu-Lim, Alessandro Nicoli, Urszula Orzel, Aida Shahraki, Johanna K.S. Tiemann, Vicente Ledesma-Martin, Francho Nerín-Fonz, Sergio Suárez-Dou, Oriol Canal, Gáspár Pándy-Szekeres, Jiafei Mao, David E. Gloriam, Esther Kellenberger, Dorota Latek, Ramon Guixà-González, Hugo Gutiérrez-de-Terán, Irina G. Tikhonova, Peter W. Hildebrand, Marta Filizola, M. Madan Babu, Antonella Di Pizio, Slawomir Filipek, Peter Kolb, Arnau Cordomi, Toni Giorgino, Maria Marti-Solano, Jana Selent. Nature Communications
• Structural basis for saxitoxin congener binding and neutralization by anuran saxiphilins. Sandra Zakrzewska, Samantha A. Nixon, Zhou Chen, Holly S. Hajare, Elizabeth R. Park, John V. Mulcahy, Kandis M. Arlinghaus, Eduard Neu, Kirill Konovalov, Davide Provasi, Tod A. Leighfield, Marta Filizola, J. Du Bois, Daniel L. Minor. Nature Communications
• Fine-Tuned Deep Transfer Learning Models for Large Screenings of Safer Drugs Targeting Class A GPCRs. Davide Provasi, Marta Filizola. Biochemistry