Barducci, Alessandro

Well-Tempered Metadynamics: A Smoothly Converging and Tunable Free-Energy Method

Barducci, A., Bussi, G., & Parrinello, M. (2008) · Physical Review Letters

Protein Structure and DynamicsAdvanced Physical and Chemical Molecular Interactions

Cited by 3,184

Cryo-EM structure of the agonist-bound Hsp90-XAP2-AHR cytosolic complex

Gruszczyk, J., Grandvuillemin, L., Lai-Kee-Him, J., Paloni, M., Savva, C. G., Germain, P., Grimaldi, M., Boulahtouf, A., Kwong, H.-S., Bous, J., et al. (2022) · Nature Communications

Heat shock proteins researchReceptor Mechanisms and Signaling

Cited by 137

Free-energy landscape of protein oligomerization from atomistic simulations

Barducci, A., Bonomi, M., Prakash, M. K., & Parrinello, M. (2013) · Proceedings of the National Academy of Sciences

Protein Structure and DynamicsAdvanced Physical and Chemical Molecular Interactions

Cited by 87

The allosteric communication pathways in KIX domain of CBP

Palazzesi, F., Barducci, A., Tollinger, M., & Parrinello, M. (2013) · Proceedings of the National Academy of Sciences

Protein Structure and DynamicsAdvanced Physical and Chemical Molecular Interactions

Cited by 62

Structural Insights into the Activation of Human Aryl Hydrocarbon Receptor by the Environmental Contaminant Benzo[a]pyrene and Structurally Related Compounds

Kwong, H.-S., Paloni, M., Grandvuillemin, L., Sirounian, S., Ancelin, A., Lai-Kee-Him, J., Grimaldi, M., Carivenc, C., Lancey, C., Ragan, T. J., et al. (2024) · Journal of Molecular Biology

Toxic Organic Pollutants ImpactProtein Structure and Dynamics

Cited by 40

Data-driven large-scale genomic analysis reveals an intricate phylogenetic and functional landscape in J-domain proteins

Malinverni, D., Zamuner, S., Rebeaud, M. E., Barducci, A., Nillegoda, N. B., & De Los Rios, P. (2022) · Proceedings of the National Academy of Sciences

Heat shock proteins researchGenomics and Phylogenetic Studies

Cited by 39

Data-driven large-scale genomic analysis reveals an intricate phylogenetic and functional landscape in J-domain proteins

Malinverni, D., Zamuner, S., Rebeaud, M. E., Barducci, A., Nillegoda, N. B., & De Los Rios, P. (2023) · Proceedings of the National Academy of Sciences

Heat shock proteins researchGenomics and Phylogenetic Studies

Cited by 39

A cyclin-dependent kinase-mediated phosphorylation switch of disordered protein condensation

Valverde, J. M., Dubra, G., Phillips, M., Haider, A., Elena-Real, C., Fournet, A., Alghoul, E., Chahar, D., Andrés-Sanchez, N., Paloni, M., et al. (2023) · Nature Communications

Microtubule and mitosis dynamicsRNA Research and Splicing

Cited by 33