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Andrea Cavalli
Researcher at Istituto Italiano di Tecnologia
Publications - 312
Citations - 14525
Andrea Cavalli is an academic researcher from Istituto Italiano di Tecnologia. The author has contributed to research in topics: Docking (molecular) & Medicine. The author has an hindex of 60, co-authored 283 publications receiving 12348 citations. Previous affiliations of Andrea Cavalli include University of Bologna & University of Lugano.
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Journal ArticleDOI
Multi-Target-Directed Ligands To Combat Neurodegenerative Diseases
Andrea Cavalli,Maria Laura Bolognesi,Anna Minarini,Michela Rosini,Vincenzo Tumiatti,Maurizio Recanatini,Carlo Melchiorre +6 more
TL;DR: The aims of the present article are to discuss the role of ligand modification in the discovery of clinically efficacious drugs and the role that ligands endowed with outstanding in vitro selectivity have in this area.
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Role of Molecular Dynamics and Related Methods in Drug Discovery.
TL;DR: The theoretical background of MD and enhanced sampling methods is reviewed, focusing on free-energy perturbation, metadynamics, steered MD, and other methods most consistently used to study drug-target binding.
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Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers.
TL;DR: A pharmacophore for QT-prolonging drugs, along with a 3D QSAR (CoMFA) study for a series of very structurally variegate HERG K(+) channel blockers, and a theoretical screening tool able to predict whether a new molecule can interact with the HERG channel and eventually induce the long QT syndrome.
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Insight Into the Kinetic of Amyloid β (1–42) Peptide Self-Aggregation: Elucidation of Inhibitors’ Mechanism of Action
Manuela Bartolini,Carlo Bertucci,Maria Laura Bolognesi,Andrea Cavalli,Carlo Melchiorre,Vincenza Andrisano +5 more
TL;DR: In this paper, a CD kinetic study showed a three-step sigmoid profile that was characterized by a lag phase (prevailing unordered/alpha-helix conformation), an exponential growth phase (increasing beta-sheet secondary structure), and a plateau phase.
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Safety of non-antiarrhythmic drugs that prolong the QT interval or induce torsade de pointes: an overview.
TL;DR: Insight is provided into the strategies that should be followed during a drug development program when a drug is suspected to affect the QT interval and the factors limiting the predictive value of preclinical and clinical studies are outlined.