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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

(1)

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Andrea Cavalli

3 results in Authors: Andrea Cavalli

Biological and Medicinal Chemistry

COVID-19 Repurposed Therapeutics Targeting the Viral Protease and Spike-protein:ACE2 Interface using MD-based Pharmacophore and Consensus Virtual Screening

Brady Garabato, Federico Falchi, Andrea Cavalli

Version 1 posted 08 May 2020

1,169

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3

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Biological and Medicinal Chemistry

Computational Analysis of the Effect of [Tea][Ms] and [Tea][H2PO4] Ionic Liquids on the Structure and Stability of Aβ(17-42) Amyloid Protofibrils

Dorothea Gobbo, Andrea Cavalli, Pietro Ballone, Antonio Benedetto

Version 1 posted 16 December 2020

233

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Theoretical and Computational Chemistry

Multi-Target Dopamine D3 Receptor Modulators: Actionable Knowledge for Drug Design from Molecular Dynamics and Machine Learning

Mariarosaria Ferraro, Sergio Decherchi, Alessio De Simone, Maurizio Recanatini, Andrea Cavalli, Giovanni Bottegoni

Version 1 posted 03 June 2019

971

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