CALLEA LARA

Role
Research fellow  
Academic disciplines
Chimica generale ed inorganica (CHIM/03)
Email
[email protected]

Publications

  • Motta, S., Callea, L., Mulla, S., Davoudkhani, H., Bonati, L., Pandini, A. (2025). SOMMD: an R package for the analysis of molecular dynamics simulations using self-organizing map. BIOINFORMATICS, 41(6) [10.1093/bioinformatics/btaf308]. Detail

  • 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]. Detail

  • 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]. Detail

  • 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]. Detail

  • (2022). MODELING OF LIGAND-PROTEIN BINDING WITH ADVANCED MOLECULAR DYNAMICS METHODS. (Tesi di dottorato, Università degli Studi di Milano-Bicocca, 2022). Detail

Full list