BONATI, LAURA
BONATI, LAURA
DIPARTIMENTO DI SCIENZE DELL'AMBIENTE E DELLA TERRA (DEPARTMENT OF EARTH AND ENVIRONMENTAL SCIENCES - DISAT)
Aryl Hydrocarbon Receptor-Dependent and-Independent Pathways Mediate Curcumin Anti-Aging Effects
2022 Brinkmann, V; Romeo, M; Larigot, L; Hemmers, A; Tschage, L; Kleinjohann, J; Schiavi, A; Steinwachs, S; Esser, C; Menzel, R; Tagliabue, S; Bonati, L; Cox, F; Ale-Agha, N; Jakobs, P; Altschmied, J; Haendeler, J; Coumoul, X; Ventura, N
Study of ligand binding to HIF-2α through Path-Metadynamics
2021 Motta, S; Callea, L; Bonati, L
A Neural Network Approach for the Identification of Pathways in Molecular Dynamics Simulations of Ligand Binding
2021 Motta, S; Callea, L; Bonati, L; Pandini, A
Reconstruction of ARNT PAS-B Unfolding Pathways by Steered Molecular Dynamics and Artificial Neural Networks
2021 Motta, S; Pandini, A; Fornili, A; Bonati, L
Metadynamics-Based Approaches for Modeling the Hypoxia-Inducible Factor 2α Ligand Binding Process
2021 Callea, L; Bonati, L; Motta, S
Transitional States in Ligand-Dependent Transformation of the Aryl Hydrocarbon Receptor into Its DNA-Binding Form
2020 Soshilov, A; Motta, S; Bonati, L; Denison, M
An aryl hydrocarbon receptor from the caecilian Gymnopis multiplicata suggests low dioxin affinity in the ancestor of all three amphibian orders
2020 Kazzaz, S; Giani Tagliabue, S; Franks, D; Denison, M; Hahn, M; Bonati, L; Powell, W
The cellular and molecular determinants of naphthoquinone-dependent activation of the aryl hydrocarbon receptor
2020 Faber, S; Tagliabue, S; Bonati, L; Denison, M
NURA: A curated dataset of nuclear receptor modulators
2020 Valsecchi, C; Grisoni, F; Motta, S; Bonati, L; Ballabio, D
Modeling of Ligand Binding to the HIF-2α Protein with Enhanced Sampling Methods
2019 Callea, L; Motta, S; Bonati, L
Modeling the binding of diverse ligands within the Ah receptor ligand binding domain
2019 Giani Tagliabue, S; Faber, S; Motta, S; Denison, M; Bonati, L
Computational prediction and in vitro validation of VEGFR1 as a novel protein target for 2,3,7,8-tetrachlorodibenzo-p-dioxin
2019 Chitrala, K; Yang, X; Busbee, B; Singh, N; Bonati, L; Xing, Y; Nagarkatti, P; Nagarkatti, M
In vitro toxicity and in silico docking analysis of two novel selective AH-receptor modulators
2018 Mahiout, S; Giani Tagliabue, S; Nasri, A; Omoruyi, I; Pettersson, L; Bonati, L; Pohjanvirta, R
Exploring the PXR ligand binding mechanism with advanced Molecular Dynamics methods
2018 Motta, S; Callea, L; Giani Tagliabue, S; Bonati, L
Identification of potential aryl hydrocarbon receptor ligands by virtual screening of industrial chemicals
2018 Larsson, M; Fraccalvieri, D; Andersson, C; Bonati, L; Linusson, A; Andersson, P
Comparative in vitro and in silico analysis of the selectivity of indirubin as a human ah receptor agonist
2018 Faber, S; Soshilov, A; Giani Tagliabue, S; Bonati, L; Denison, M
Ligand-induced perturbation of the HIF-2α:ARNT dimer dynamics
2018 Motta, S; Minici, C; Corrada, D; Bonati, L; Pandini, A
Molecular modeling of the AhR structure and interactions can shed light on ligand-dependent activation and transformation mechanisms
2017 Bonati, L; Corrada, D; GIANI TAGLIABUE, S; Motta, S
Structural modeling of the AhR:ARNT complex in the bHLH–PASA–PASB region elucidates the key determinants of dimerization
2017 Corrada, D; Denison, M; Bonati, L
Modeling Binding with Large Conformational Changes: Key Points in Ensemble-Docking Approaches
2017 Motta, S; Bonati, L