CALLEA, LARA

CALLEA, LARA  

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
Drug Design in the Exascale Era: A Perspective from Massively Parallel QM/MM Simulations 01 - Articolo su rivista 2023 Callea L.Bonati L. +
MODELING OF LIGAND-PROTEIN BINDING WITH ADVANCED MOLECULAR DYNAMICS METHODS 07 - Tesi di dottorato Bicocca post 2009 2022 CALLEA, LARA
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
Study of ligand binding to HIF-2α through Path-Metadynamics 02 - Intervento a convegno 2021 Motta, SCallea, LBonati, L
Modeling of Ligand Binding to the HIF-2α Protein with Enhanced Sampling Methods 02 - Intervento a convegno 2019 Callea LaraMotta StefanoBonati Laura
Exploring the PXR ligand binding mechanism with advanced Molecular Dynamics methods 01 - Articolo su rivista 2018 Motta, StefanoCallea, LaraGiani Tagliabue, SaraBonati, Laura
Role of dynamics in ligand-protein interactions: modelling of binding to the pregnane x receptor 02 - Intervento a convegno 2018 CALLEA, LARAMotta SGiani Tagliabue SBonati L