Mapping Active Site Geometry to Activity in Immobilized Frustrated Lewis Pair Catalysts

por Das, Shubhajit, Laplaza, Ruben, Blaskovits, J. Terence, Corminboeuf, Clémence
Publicado 2022

The (not so) simple prediction of enantioselectivity – a pipeline for high-fidelity computations

por Laplaza, Rubén, Sobez, Jan-Grimo, Wodrich, Matthew D., Reiher, Markus, Corminboeuf, Clémence
Publicado 2022

Reaction-based machine learning representations for predicting the enantioselectivity of organocatalysts

por Gallarati, Simone, Fabregat, Raimon, Laplaza, Rubén, Bhattacharjee, Sinjini, Wodrich, Matthew D., Corminboeuf, Clemence
Publicado 2021

OSCAR: an extensive repository of chemically and functionally diverse organocatalysts

por Gallarati, Simone, van Gerwen, Puck, Laplaza, Ruben, Vela, Sergi, Fabrizio, Alberto, Corminboeuf, Clemence
Publicado 2022

W196 and the β-Hairpin Motif Modulate the Redox Switch of Conformation and the Biomolecular Interaction Network of the Apoptosis-Inducing Factor

por Romero-Tamayo, Silvia, Laplaza, Ruben, Velazquez-Campoy, Adrian, Villanueva, Raquel, Medina, Milagros, Ferreira, Patricia
Publicado 2021

Identification of Inhibitors Targeting Ferredoxin-NADP(+) Reductase from the Xanthomonas citri subsp. citri Phytopathogenic Bacteria

por Martínez-Júlvez, Marta, Goñi, Guillermina, Pérez-Amigot, Daniel, Laplaza, Rubén, Ionescu, Irina Alexandra, Petrocelli, Silvana, Tondo, María Laura, Sancho, Javier, Orellano, Elena G., Medina, Milagros
Publicado 2017