CALLEA LARA
Pubblicazioni
Bonati, L., Motta, S., Callea, L. (2024). The AhR Signaling Mechanism: A Structural Point of View. JOURNAL OF MOLECULAR BIOLOGY, 436(3), 1-12 [10.1016/j.jmb.2023.168296]. Dettaglio
Callea, L., Caprai, C., Bonati, L., Giorgino, T., Motta, S. (2024). Self-organizing maps of unbiased ligand-target binding pathways and kinetics. THE JOURNAL OF CHEMICAL PHYSICS, 161(13), 1-12 [10.1063/5.0225183]. Dettaglio
Raghavan, B., Paulikat, M., Ahmad, K., Callea, L., Rizzi, A., Ippoliti, E., et al. (2023). Drug Design in the Exascale Era: A Perspective from Massively Parallel QM/MM Simulations. JOURNAL OF CHEMICAL INFORMATION AND MODELING, 63(12 (26 June 2023)), 3647-3658 [10.1021/acs.jcim.3c00557]. Dettaglio
(2022). MODELING OF LIGAND-PROTEIN BINDING WITH ADVANCED MOLECULAR DYNAMICS METHODS. (Tesi di dottorato, Università degli Studi di Milano-Bicocca, 2022). Dettaglio
Basciu, A., Callea, L., Motta, S., Bonvin, A., Bonati, L., Vargiu, A. (2022). No dance, no partner! A tale of receptor flexibility in docking and virtual screening. In J. Caballero (a cura di), Annual Reports in Medicinal Chemistry Part of volume Virtual Screening and Drug Docking (pp. 43-97). Academic Press Inc. [10.1016/bs.armc.2022.08.006]. Dettaglio