Research Lab

BioMolecular Simulations


Selected Publications

Lapaillerie, D; Charlier, C; Fernandes, HS; Sousa, SF; Lesbats, P; Weigel, P; Favereaux, A; Guyonnet-Duperat, V; Parissi, V. 2021. In Silico, In Vitro and In Cellulo Models for Monitoring SARS-CoV-2 Spike/Human ACE2 Complex, Viral Entry and Cell Fusion. Viruses-Basel, 13, DOI: 10.3390/v13030365
Ribeiro, PMG; Fernandes, HS; Maia, LB; Sousa, SF; Moura, JJG; Cerqueira, NMFSA. 2021. The complete catalytic mechanism of xanthine oxidase: a computational study. Inorganic Chemistry Frontiers, 8, DOI: 10.1039/d0qi01029d
Gonçalves, IG; Fernandes, HS; Melo, A; Sousa, SF; Simões, LC; Simões, M. 2021. LegionellaDB – A Database on Legionella Outbreaks. TRENDS IN MICROBIOLOGY, DOI: 10.1016/j.tim.2021.01.015
Rita PMagalhães; Tatiana FVieira; Henrique SFernandes; André Melo; Manuel Simões; Sérgio FSousa. 2020. The Biofilms Structural Database. TRENDS IN BIOTECHNOLOGY, 38(9), DOI: 10.1016/j.tibtech.2020.04.002