Metadynamics simulations leveraged by statistical analyses and artificial intelligence-based tools to inform the discovery of G protein-coupled receptor ligands

por Salas-Estrada, Leslie, Fiorillo, Bianca, Filizola, Marta
Publicado 2022

De Novo Design of κ-Opioid Receptor Antagonists Using a Generative Deep-Learning Framework

por Salas-Estrada, Leslie, Provasi, Davide, Qiu, Xing, Kaniskan, Husnu Ümit, Huang, Xi-Ping, DiBerto, Jeffrey F., Lamim Ribeiro, João Marcelo, Jin, Jian, Roth, Bryan L., Filizola, Marta
Publicado 2023

Gαs slow conformational transition upon GTP binding and a novel Gαs regulator

por Ahn, Donghoon, Provasi, Davide, Duc, Nguyen Minh, Xu, Jun, Salas-Estrada, Leslie, Spasic, Aleksandar, Yun, Min Woo, Kang, Juyeong, Gim, Dongmin, Lee, Jaecheol, Du, Yang, Filizola, Marta, Chung, Ka Young
Publicado 2023

Differences in interactions between transmembrane domains tune the activation of metabotropic glutamate receptors

por Thibado, Jordana K, Tano, Jean-Yves, Lee, Joon, Salas-Estrada, Leslie, Provasi, Davide, Strauss, Alexa, Marcelo Lamim Ribeiro, Joao, Xiang, Guoqing, Broichhagen, Johannes, Filizola, Marta, Lohse, Martin J, Levitz, Joshua
Publicado 2021