BiophysicsbioRxivPreprint
Prospective discovery of LasB inhibitors by integrating generative design, free energy ranking, and experimental validation
Alejandro Martínez León, Αγγελική Βγενοπούλου, Gwenaëlle Jézéquel…·Jochen S. Hub
This paper discovers three new nanomolar inhibitors of LasB by combining generative design, free energy calculations, and experimental validation.
DOI 10.64898/2026.10.12.758448