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Francesco Luigi Gervasio

Francesco Luigi Gervasio

D-Index & Metrics

Chemistry

D-Index
59
Citations
14247
World Ranking
10050
National Ranking
572

Overview

Francesco Luigi Gervasio is affiliated with University College London in the United Kingdom. Their research primarily focuses on the field of Biochemistry, Genetics and Molecular Biology, with a substantial portion of work dedicated to the subfield of Molecular Biology. Additional areas of study include Computational Theory and Mathematics, Materials Chemistry, Infectious Diseases, and Organic Chemistry.

Their research interests encompass a range of specialized topics such as:

  • Protein Structure and Dynamics
  • Computational Drug Discovery Methods
  • Connexins and lens biology
  • Receptor Mechanisms and Signaling
  • Lung Cancer Treatments and Mutations
  • RNA and protein synthesis mechanisms
  • Machine Learning in Materials Science

Francesco Luigi Gervasio has contributed to numerous scientific publications, including recent notable papers such as:

  • Investigating Cryptic Binding Sites by Molecular Dynamics Simulations, 2020, Accounts of Chemical Research
  • A combined activation mechanism for the glucagon receptor, 2020, Proceedings of the National Academy of Sciences
  • Allosteric communication in class A β-lactamases occurs via cooperative coupling of loop dynamics, 2021, eLife
  • Concurrent mutations in RNA-dependent RNA polymerase and spike protein emerged as the epidemiologically most successful SARS-CoV-2 variant, 2021, Scientific Reports
  • Subcellular location defines GPCR signal transduction, 2023, Science Advances

The scientist frequently collaborates with several coauthors, including Valerio Rizzi, Simone Aureli, Ioannis Galdadas, Silvia Acosta-Gutiérrez, and Selene K. Roberts. These collaborations reflect ongoing research partnerships within their domains of expertise.

Their work has been published across a variety of scientific venues with recurring contributions in:

  • bioRxiv (Cold Spring Harbor Laboratory)
  • Zenodo (CERN European Organization for Nuclear Research)
  • Journal of Chemical Information and Modeling
  • eLife
  • Journal of Chemical Theory and Computation

Best Publications

  • Metadynamics: a method to simulate rare events and reconstruct the free energy in biophysics, chemistry and material science

    Alessandro Laio;Francesco L Gervasio

  • Promoting transparency and reproducibility in enhanced molecular simulations

    M. Bonomi;M. Bonomi;B. Giovanni;C. Camilloni;G.A. Tribello

  • From A to B in free energy space.

    Davide Branduardi;Francesco Luigi Gervasio;Michele Parrinello

  • Efficient reconstruction of complex free energy landscapes by multiple walkers metadynamics.

    Paolo Raiteri;Alessandro Laio;Francesco Luigi Gervasio;Cristian Micheletti

  • Assessing the accuracy of metadynamics.

    Alessandro Laio;Antonio Rodriguez-Fortea;Francesco Luigi Gervasio;Matteo Ceccarelli

  • Free-Energy Landscape for β Hairpin Folding from Combined Parallel Tempering and Metadynamics

    Giovanni Bussi;Francesco Luigi Gervasio;and Alessandro Laio;Michele Parrinello

  • The Role of Protein Loops and Linkers in Conformational Dynamics and Allostery.

    Elena Papaleo;Giorgio Saladino;Matteo Lambrughi;Kresten Lindorff-Larsen

  • Flexible Docking in Solution Using Metadynamics

    Francesco Luigi Gervasio;and Alessandro Laio;Michele Parrinello

  • Stacking and T-shape competition in aromatic-aromatic amino acid interactions.

    Riccardo Chelli;Francesco Luigi Gervasio;Piero Procacci;Vincenzo Schettino

  • Molecular basis of cyclooxygenase enzymes (COXs) selective inhibition

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

  • Understanding Cryptic Pocket Formation in Protein Targets by Enhanced Sampling Simulations

    Vladimiras Oleinikovas;Giorgio Saladino;Benjamin P. Cossins;Francesco L. Gervasio

  • Role of glutamine synthetase in angiogenesis beyond glutamine synthesis

    Guy Eelen;Guy Eelen;Charlotte Dubois;Anna Rita Cantelmo;Anna Rita Cantelmo;Jermaine Goveia

  • Electronic structure of wet DNA.

    Francesco Luigi Gervasio;Paolo Carloni;Michele Parrinello

  • Effects of oncogenic mutations on the conformational free-energy landscape of EGFR kinase

    Ludovico Sutto;Francesco Luigi Gervasio

  • Investigating Cryptic Binding Sites by Molecular Dynamics Simulations

    Antonija Kuzmanic;Gregory R. Bowman;Jordi Juarez-Jimenez;Julien Michel

  • New advances in metadynamics

    Ludovico Sutto;Simone Marsili;Francesco Luigi Gervasio

  • Investigating Drug–Target Association and Dissociation Mechanisms Using Metadynamics-Based Algorithms

    Andrea Cavalli;Andrea Spitaleri;Giorgio Saladino;Francesco L. Gervasio

  • Inhibition of Tumor Angiogenesis and Growth by a Small-Molecule Multi-FGF Receptor Blocker with Allosteric Properties

    Françoise Bono;Frederik De Smet;Corentin Herbert;Katrien De Bock

  • Phosphatidylinositol 4,5-bisphosphate triggers activation of focal adhesion kinase by inducing clustering and conformational changes

    Guillermina M. Goñi;Carolina Epifano;Jasminka Boskovic;Marta Camacho-Artacho

  • Protein conformational transitions: the closure mechanism of a kinase explored by atomistic simulations.

    Anna Berteotti;Andrea Cavalli;Davide Branduardi;Francesco Luigi Gervasio

  • From residue coevolution to protein conformational ensembles and functional dynamics

    Ludovico Sutto;Simone Marsili;Alfonso Valencia;Francesco Luigi Gervasio

  • An Efficient Metadynamics-Based Protocol To Model the Binding Affinity and the Transition State Ensemble of G-Protein-Coupled Receptor Ligands.

    Noureldin Saleh;Passainte Ibrahim;Giorgio Saladino;Francesco Luigi Gervasio

Frequent Co-Authors

Andrea Cavalli
Andrea Cavalli Italian Institute of Technology
Maurizio Recanatini
Maurizio Recanatini University of Bologna
Vincenzo Schettino
Vincenzo Schettino University of Florence
Alessandro Laio
Alessandro Laio International School for Advanced Studies
Adrian J. Mulholland
Adrian J. Mulholland University of Bristol
Giuseppe Battaglia
Giuseppe Battaglia Institute for Bioengineering of Catalonia
Paolo Carloni
Paolo Carloni Forschungszentrum Jülich
Annalisa Pastore
Annalisa Pastore King's College London

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