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Chemistry
Italy
2025

D-Index & Metrics

Chemistry

D-Index
83
Citations
24238
World Ranking
2950
National Ranking
49

Research.com Recognitions

  • 2025 - Research.com Chemistry in Italy Leader Award
  • 2022 - Research.com Chemistry in Italy Leader Award

Overview

Andrea Cavalli is affiliated with the Italian Institute of Technology in Italy. Their research spans multiple disciplines, primarily within the fields of Biochemistry, Genetics and Molecular Biology, and Medicine. Their work notably intersects with subfields such as Molecular Biology, Oncology, Computational Theory and Mathematics, Materials Chemistry, and Immunology.

The scientist has contributed a significant body of research focused on several main topics including:

  • PARP inhibition in cancer therapy
  • DNA Repair Mechanisms
  • Computational Drug Discovery Methods
  • Protein Structure and Dynamics
  • RNA and protein synthesis mechanisms
  • Advanced biosensing and bioanalysis techniques
  • Cancer therapeutics and mechanisms

Andrea Cavalli's publication record features several recent papers that reflect their diverse interests in molecular and computational studies. Selected recent works include:

  • "Thermodynamics and Kinetics of Drug-Target Binding by Molecular Simulation," 2020, Chemical Reviews
  • "STAT1 and Its Crucial Role in the Control of Viral Infections," 2022, International Journal of Molecular Sciences
  • "Comprehensive Analysis of Binding Sites in Tubulin," 2021, Angewandte Chemie International Edition
  • "GSK-3β, FYN, and DYRK1A: Master Regulators in Neurodegenerative Pathways," 2021, International Journal of Molecular Sciences
  • "Opportunities and Challenges for Machine Learning in Rare Diseases," 2021, Frontiers in Medicine

The scientist has frequently published in venues such as:

  • bioRxiv (Cold Spring Harbor Laboratory)
  • Journal of Medicinal Chemistry
  • European Journal of Medicinal Chemistry
  • arXiv (Cornell University)
  • International Journal of Molecular Sciences

Andrea Cavalli collaborates frequently with several researchers, enhancing multidisciplinary approaches to their studies. Notable co-authors include:

  • Sergio Decherchi
  • Stefania Girotto
  • Marinella Roberti
  • Francesco Rinaldi
  • Dario Gioia

Best Publications

  • Multi-Target-Directed Ligands To Combat Neurodegenerative Diseases

    Andrea Cavalli;Maria Laura Bolognesi;Anna Minarini;Michela Rosini

  • Role of Molecular Dynamics and Related Methods in Drug Discovery.

    Marco De Vivo;Marco De Vivo;Matteo Masetti;Giovanni Bottegoni;Andrea Cavalli;Andrea Cavalli

  • Protein structure determination from NMR chemical shifts.

    Andrea Cavalli;Xavier Salvatella;Christopher M. Dobson;Michele Vendruscolo

  • Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers.

    Andrea Cavalli;Elisabetta Poluzzi;Fabrizio De Ponti;Maurizio Recanatini

  • Structure of an Intermediate State in Protein Folding and Aggregation

    Philipp Neudecker;Paul Robustelli;Andrea Cavalli;Patrick Walsh

  • 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

  • 3-(4-{[Benzyl(methyl)amino]methyl}phenyl)-6,7-dimethoxy-2H-2-chromenone (AP2238) Inhibits Both Acetylcholinesterase and Acetylcholinesterase-Induced β-Amyloid Aggregation: A Dual Function Lead for Alzheimer's Disease Therapy§

    Lorna Piazzi;Angela Rampa;Alessandra Bisi;Silvia Gobbi

  • Multi-target-directed drug design strategy: from a dual binding site acetylcholinesterase inhibitor to a trifunctional compound against Alzheimer's disease.

    Maria Laura Bolognesi;Andrea Cavalli;Luca Valgimigli;Manuela Bartolini

  • Multi-target-directed coumarin derivatives: hAChE and BACE1 inhibitors as potential anti-Alzheimer compounds.

    Lorna Piazzi;Andrea Cavalli;Francesco Colizzi;Federica Belluti

  • Fast and accurate predictions of protein NMR chemical shifts from interatomic distances.

    Kai J. Kohlhoff;Paul Robustelli;Andrea Cavalli;Xavier Salvatella

  • Neglected tropical diseases: multi-target-directed ligands in the search for novel lead candidates against Trypanosoma and Leishmania.

    Andrea Cavalli;Maria Laura Bolognesi

  • Molecular basis of cyclooxygenase enzymes (COXs) selective inhibition

    Vittorio Limongelli;Massimiliano Bonomi;Luciana Marinelli;Francesco Luigi Gervasio

  • Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.

    Johannes Schiebel;Roberto Gaspari;Tobias Wulsdorf;Khang Ngo

  • Thermodynamics and Kinetics of Drug-Target Binding by Molecular Simulation.

    Sergio Decherchi;Andrea Cavalli;Andrea Cavalli

  • Prediction of aggregation rate and aggregation-prone segments in polypeptide sequences.

    Gian Gaetano Tartaglia;Andrea Cavalli;Riccardo Pellarin;Amedeo Caflisch

  • Multitarget Drug Discovery and Polypharmacology.

    Maria Laura Bolognesi;Andrea Cavalli;Andrea Cavalli

  • Inhibition of acetylcholinesterase, beta-amyloid aggregation, and NMDA receptors in Alzheimer's disease: a promising direction for the multi-target-directed ligands gold rush.

    Michela Rosini;Elena Simoni;Manuela Bartolini;Andrea Cavalli

  • A small molecule targeting the multifactorial nature of Alzheimer's disease.

    Andrea Cavalli;Maria Laura Bolognesi;Simona Capsoni;Vincenza Andrisano

  • Structural Basis of cis- and trans-Combretastatin Binding to Tubulin

    Roberto Gaspari;Andrea E. Prota;Katja Bargsten;Andrea Cavalli;Andrea Cavalli

  • Molecular dynamics simulations with replica-averaged structural restraints generate structural ensembles according to the maximum entropy principle

    Andrea Cavalli;Carlo Camilloni;Michele Vendruscolo

  • A catalytically silent FAAH-1 variant drives anandamide transport in neurons

    Jin Fu;Giovanni Bottegoni;Oscar Sasso;Rosalia Bertorelli

  • SAR of 9-Amino-1,2,3,4-tetrahydroacridine-Based Acetylcholinesterase Inhibitors: Synthesis, Enzyme Inhibitory Activity, QSAR, and Structure-Based CoMFA of Tacrine Analogues

    Maurizio Recanatini;Andrea Cavalli;Federica Belluti;Lorna Piazzi

  • Calpain-1 regulates Bax and subsequent Smac-dependent caspase-3 activation in neutrophil apoptosis.

    Frank Altznauer;Sébastien Conus;Andrea Cavalli;Gerd Folkers

  • The role of aromaticity, exposed surface, and dipole moment in determining protein aggregation rates.

    Gian Gaetano Tartaglia;Andrea Cavalli;Riccardo Pellarin;Amedeo Caflisch

Frequent Co-Authors

Maurizio Recanatini
Maurizio Recanatini University of Bologna
Maria Laura Bolognesi
Maria Laura Bolognesi University of Bologna
Vincenza Andrisano
Vincenza Andrisano University of Bologna
Manuela Bartolini
Manuela Bartolini University of Bologna
Daniele Piomelli
Daniele Piomelli University of California, Irvine
Paolo Carloni
Paolo Carloni Forschungszentrum Jülich
Francesco Luigi Gervasio
Francesco Luigi Gervasio University College London
Romana Fato
Romana Fato University of Bologna
Liberato Manna
Liberato Manna Italian Institute of Technology

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