Laura Bonati

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 20

Top Topics

Molecular Dynamics

Top Venues

International journal of molecular sciences

Scientific reports

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

Giulia Frigerio, Edoardo Donadoni, Paulo Siani, Jacopo Vertemara, Stefano Motta, Laura Bonati, Luca De Gioia, Cristiana Di Valentin
Mechanism of RGD-conjugated nanodevice binding to its target protein integrin α V β 3 by atomistic molecular dynamics and machine learning. Nanoscale 16 (8) (2024)
Giulia Frigerio, Edoardo Donadoni, Paulo Siani, Jacopo Vertemara, Stefano Motta, Laura Bonati, Luca De Gioia, Cristiana Di Valentin
Mechanism of RGD-conjugated nanodevice binding to its target protein integrin α V β 3 by atomistic molecular dynamics and machine learning. Nanoscale (2024)
Giulia Frigerio, Edoardo Donadoni, Paulo Siani, Jacopo Vertemara, Stefano Motta, Laura Bonati, Luca De Gioia, Cristiana Di Valentin
Mechanism of RGD-conjugated nanodevice binding to its target protein integrin α V β 3 by atomistic molecular dynamics and machine learning. Nanoscale 16 (8) (2024)
Stefano Motta, Laura Bonati
TCDD-Induced Allosteric Perturbation of the AhR:ARNT Binding to DNA. International journal of molecular sciences 24 (11) (2023)
Bharath Raghavan, Mirko Paulikat, Katya Ahmad, Lara Callea, Andrea Rizzi, Emiliano Ippoliti, Davide Mandelli, Laura Bonati, Marco De Vivo, Paolo Carloni
Drug Design in the Exascale Era: A Perspective from Massively Parallel QM/MM Simulations. Journal of chemical information and modeling (2023)
Edoardo Donadoni, Giulia Frigerio, Paulo Siani, Stefano Motta, Jacopo Vertemara, Luca De Gioia, Laura Bonati, Cristiana Di Valentin
Molecular Dynamics for the Optimal Design of Functionalized Nanodevices to Target Folate Receptors on Tumor Cells. ACS biomaterials science & engineering (2023)
Stefano Motta, Paulo Siani, Edoardo Donadoni, Giulia Frigerio, Laura Bonati, Cristiana Di Valentin
Metadynamics simulations for the investigation of drug loading on functionalized inorganic nanoparticles. Nanoscale (2023)
Vanessa Brinkmann, Margherita Romeo, Lucie Larigot, Anne Hemmers, Lisa Tschage, Jennifer Kleinjohann, Alfonso Schiavi, Swantje Steinwachs, Charlotte Esser, Ralph Menzel, Sara Giani Tagliabue, Laura Bonati, Fiona Cox, Niloofar Ale-Agha, Philipp Jakobs, Joachim Altschmied, Judith Haendeler, Xavier Coumoul, Natascia Ventura
Aryl Hydrocarbon Receptor-Dependent and -Independent Pathways Mediate Curcumin Anti-Aging Effects. Antioxidants (Basel, Switzerland) 11 (4) (2022)
Stefano Motta, Lara Callea, Laura Bonati, Alessandro Pandini
PathDetect-SOM: A Neural Network Approach for the Identification of Pathways in Ligand Binding Simulations. Journal of chemical theory and computation 18 (3) (2022)
Stefano Motta, Alessandro Pandini, Arianna Fornili, Laura Bonati
Reconstruction of ARNT PAS-B Unfolding Pathways by Steered Molecular Dynamics and Artificial Neural Networks. Journal of chemical theory and computation 17 (4) (2021)
Lara Callea, Laura Bonati, Stefano Motta
Metadynamics-Based Approaches for Modeling the Hypoxia-Inducible Factor 2α Ligand Binding Process. Journal of chemical theory and computation 17 (7) (2021)
Anatoly A Soshilov, Stefano Motta, Laura Bonati, Michael S Denison
Transitional States in Ligand-Dependent Transformation of the Aryl Hydrocarbon Receptor into Its DNA-Binding Form. International journal of molecular sciences 21 (7) (2020)
Samantha C Faber, Sara Giani Tagliabue, Laura Bonati, Michael S Denison
The Cellular and Molecular Determinants of Naphthoquinone-Dependent Activation of the Aryl Hydrocarbon Receptor. International journal of molecular sciences 21 (11) (2020)
Kumaraswamy Naidu Chitrala, Xiaoming Yang, Brandon Busbee, Narendra P Singh, Laura Bonati, Yongna Xing, Prakash Nagarkatti, Mitzi Nagarkatti
Computational prediction and in vitro validation of VEGFR1 as a novel protein target for 2,3,7,8-tetrachlorodibenzo-p-dioxin. Scientific reports 9 (1) (2019)
Sara Giani Tagliabue, Samantha C Faber, Stefano Motta, Michael S Denison, Laura Bonati
Modeling the binding of diverse ligands within the Ah receptor ligand binding domain. Scientific reports 9 (1) (2019)
Stefano Motta, Claudia Minici, Dario Corrada, Laura Bonati, Alessandro Pandini
Ligand-induced perturbation of the HIF-2α:ARNT dimer dynamics. PLoS computational biology 14 (2) (2018)
Samantha C Faber, Anatoly A Soshilov, Sara Giani Tagliabue, Laura Bonati, Michael S Denison
Comparative In Vitro and In Silico Analysis of the Selectivity of Indirubin as a Human Ah Receptor Agonist. International journal of molecular sciences 19 (9) (2018)
Stefano Motta, Lara Callea, Sara Giani Tagliabue, Laura Bonati
Exploring the PXR ligand binding mechanism with advanced Molecular Dynamics methods. Scientific reports 8 (1) (2018)
Stefano Motta, Laura Bonati
Modeling Binding with Large Conformational Changes: Key Points in Ensemble-Docking Approaches. Journal of chemical information and modeling 57 (7) (2017)
Dario Corrada, Anatoly A Soshilov, Michael S Denison, Laura Bonati
Deciphering Dimerization Modes of PAS Domains: Computational and Experimental Analyses of the AhR:ARNT Complex Reveal New Insights Into the Mechanisms of AhR Transformation. PLoS computational biology 12 (6) (2016)