BONATI, LAURA

BONATI, LAURA  

DIPARTIMENTO DI SCIENZE DELL'AMBIENTE E DELLA TERRA (DEPARTMENT OF EARTH AND ENVIRONMENTAL SCIENCES - DISAT)  

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Titolo Tipologia Data di pubblicazione Autori File
Mechanism of a nanodevice binding to its target protein by atomistic molecular dynamics: the case of RGD-conjugated PEGylated TiO2 nanoparticles binding to integrins αVβ3 02 - Intervento a convegno 2024 Giulia FrigerioEdoardo DonadoniPaulo SianiJacopo VertemaraStefano MottaLaura BonatiLuca De GioiaCristiana Di Valentin
Mechanism of RGD-conjugated nanodevice binding to its target protein integrin αVβ3 by atomistic molecular dynamics and machine learning 01 - Articolo su rivista 2024 Frigerio, GDonadoni, ESiani, PVertemara, JMotta, SBonati, LDe Gioia, LDi Valentin, C
Molecular Dynamics for the Optimal Design of Functionalized Nanodevices to Target Folate Receptors on Tumor Cells 02 - Intervento a convegno 2024 Donadoni, EFrigerio, GSiani, PMotta, SVertemara, JDe Gioia, LBonati, LDi Valentin, C
Drug Design in the Exascale Era: A Perspective from Massively Parallel QM/MM Simulations 01 - Articolo su rivista 2023 Callea L.Bonati L. +
Metadynamics simulations for the investigation of drug loading on functionalized inorganic nanoparticles 01 - Articolo su rivista 2023 Motta, StefanoSiani, PauloDonadoni, EdoardoFrigerio, GiuliaBonati, LauraDi Valentin, Cristiana
Molecular Dynamics for the Optimal Design of Functionalized Nanodevices to Target Folate Receptors on Tumor Cells 01 - Articolo su rivista 2023 Donadoni, EdoardoFrigerio, GiuliaSiani, PauloMotta, StefanoVertemara, JacopoDe Gioia, LucaBonati, LauraDi Valentin, Cristiana
TCDD-Induced Allosteric Perturbation of the AhR:ARNT Binding to DNA 01 - Articolo su rivista 2023 Motta S.Bonati L.
Aryl Hydrocarbon Receptor-Dependent and-Independent Pathways Mediate Curcumin Anti-Aging Effects 01 - Articolo su rivista 2022 Bonati L. +
No dance, no partner! A tale of receptor flexibility in docking and virtual screening 03 - Contributo in libro 2022 Callea L.Motta S.Bonati L. +
PathDetect-SOM: A Neural Network Approach for the Identification of Pathways in Ligand Binding Simulations 01 - Articolo su rivista 2022 Motta, StefanoCallea, LaraBonati, LauraPandini, Alessandro
A Neural Network Approach for the Identification of Pathways in Molecular Dynamics Simulations of Ligand Binding 02 - Intervento a convegno 2021 Motta, SCallea, LBonati, LPandini, A
Metadynamics-Based Approaches for Modeling the Hypoxia-Inducible Factor 2α Ligand Binding Process 01 - Articolo su rivista 2021 Callea, LBonati, LMotta, S
Reconstruction of ARNT PAS-B Unfolding Pathways by Steered Molecular Dynamics and Artificial Neural Networks 01 - Articolo su rivista 2021 Motta S.Bonati L. +
Study of ligand binding to HIF-2α through Path-Metadynamics 02 - Intervento a convegno 2021 Motta, SCallea, LBonati, L
An aryl hydrocarbon receptor from the caecilian Gymnopis multiplicata suggests low dioxin affinity in the ancestor of all three amphibian orders 01 - Articolo su rivista 2020 Giani Tagliabue S.Bonati L. +
NURA: A curated dataset of nuclear receptor modulators 01 - Articolo su rivista 2020 Valsecchi, CecileMotta, StefanoBonati, LauraBallabio, Davide +
The cellular and molecular determinants of naphthoquinone-dependent activation of the aryl hydrocarbon receptor 01 - Articolo su rivista 2020 Tagliabue S. G.Bonati L. +
Transitional States in Ligand-Dependent Transformation of the Aryl Hydrocarbon Receptor into Its DNA-Binding Form 01 - Articolo su rivista 2020 Motta, StefanoBonati, Laura +
Computational prediction and in vitro validation of VEGFR1 as a novel protein target for 2,3,7,8-tetrachlorodibenzo-p-dioxin 01 - Articolo su rivista 2019 Bonati L. +
Modeling of Ligand Binding to the HIF-2α Protein with Enhanced Sampling Methods 02 - Intervento a convegno 2019 Callea LaraMotta StefanoBonati Laura