D-Index & Metrics Best Publications

D-Index & Metrics D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines.

Discipline name D-index D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines. Citations Publications World Ranking National Ranking
Chemistry D-index 48 Citations 9,796 141 World Ranking 11335 National Ranking 647

Overview

What is he best known for?

The fields of study he is best known for:

  • Enzyme
  • Quantum mechanics
  • DNA

His primary areas of investigation include Metadynamics, Computational chemistry, Molecular dynamics, Statistical physics and Protein structure. His research in Metadynamics intersects with topics in Collective variables, Docking and Protein folding. His work deals with themes such as Biomolecule, Potential energy surface, Time evolution and Closed conformation, which intersect with Computational chemistry.

Francesco Luigi Gervasio has included themes like Crystallography, Car–Parrinello molecular dynamics, Chemical physics and Systems biology in his Molecular dynamics study. His Statistical physics study incorporates themes from Phase transition, Umbrella sampling and Local Elevation. His biological study spans a wide range of topics, including Biophysics, Stereochemistry and Protein secondary structure.

His most cited work include:

  • Metadynamics: a method to simulate rare events and reconstruct the free energy in biophysics, chemistry and material science (962 citations)
  • Free-Energy Landscape for β Hairpin Folding from Combined Parallel Tempering and Metadynamics (338 citations)
  • Assessing the accuracy of metadynamics. (334 citations)

What are the main themes of his work throughout his whole career to date?

The scientist’s investigation covers issues in Metadynamics, Molecular dynamics, Biophysics, Allosteric regulation and Computational chemistry. His Metadynamics research is multidisciplinary, relying on both Chemical physics, Statistical physics, Docking and Collective variables. His studies in Statistical physics integrate themes in fields like Protein folding and Local Elevation.

His Molecular dynamics research incorporates elements of Plasma protein binding, Ab initio, Hydrogen bond, Protein structure and Binding site. His study in Biophysics is interdisciplinary in nature, drawing from both Amino acid, Nanotechnology, Kinase and Phosphorylation. His study on Allosteric regulation also encompasses disciplines like

  • Mechanism that intertwine with fields like Coupling,
  • Fibroblast growth factor most often made with reference to Cell biology.

He most often published in these fields:

  • Metadynamics (28.10%)
  • Molecular dynamics (28.10%)
  • Biophysics (22.22%)

What were the highlights of his more recent work (between 2018-2021)?

  • Biophysics (22.22%)
  • Allosteric regulation (17.65%)
  • Cell biology (13.73%)

In recent papers he was focusing on the following fields of study:

Francesco Luigi Gervasio spends much of his time researching Biophysics, Allosteric regulation, Cell biology, Molecular dynamics and Enzyme. His studies deal with areas such as Agonist, Intracellular, G protein and Ternary complex as well as Biophysics. Francesco Luigi Gervasio focuses mostly in the field of Allosteric regulation, narrowing it down to topics relating to G protein-coupled receptor and, in certain cases, Structural similarity, Binding pocket, Adenosine receptor and Ligand.

His Cell biology research integrates issues from Mode of action and Energy landscape. Specifically, his work in Molecular dynamics is concerned with the study of Metadynamics. In general Enzyme, his work in Active site is often linked to β lactamases and Shape change linking many areas of study.

Between 2018 and 2021, his most popular works were:

  • Promoting transparency and reproducibility in enhanced molecular simulations (145 citations)
  • Investigating Cryptic Binding Sites by Molecular Dynamics Simulations (18 citations)
  • Investigating Cryptic Binding Sites by Molecular Dynamics Simulations (18 citations)

In his most recent research, the most cited papers focused on:

  • Enzyme
  • Quantum mechanics
  • DNA

His scientific interests lie mostly in Molecular dynamics, Computational biology, Binding site, Metadynamics and State model. The Molecular dynamics study combines topics in areas such as Statistical physics, Observable and Pathogenic mutation. The concepts of his Computational biology study are interwoven with issues in G protein-coupled receptor, Ligand, Adenosine receptor, Binding pocket and Selectivity.

He combines subjects such as Protein dynamics and Drug discovery with his study of Binding site.

This overview was generated by a machine learning system which analysed the scientist’s body of work. If you have any feedback, you can contact us here.

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.
Reports on Progress in Physics (2008)

1520 Citations

From A to B in free energy space.

Davide Branduardi;Francesco Luigi Gervasio;Michele Parrinello.
Journal of Chemical Physics (2007)

599 Citations

Assessing the accuracy of metadynamics.

Alessandro Laio;Antonio Rodriguez-Fortea;Francesco Luigi Gervasio;Matteo Ceccarelli.
Journal of Physical Chemistry B (2005)

560 Citations

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

Paolo Raiteri;Alessandro Laio;Francesco Luigi Gervasio;Cristian Micheletti.
Journal of Physical Chemistry B (2006)

529 Citations

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

Giovanni Bussi;Francesco Luigi Gervasio;and Alessandro Laio;Michele Parrinello.
Journal of the American Chemical Society (2006)

517 Citations

Promoting transparency and reproducibility in enhanced molecular simulations

M. Bonomi;M. Bonomi;B. Giovanni;C. Camilloni;G.A. Tribello.
Nature Methods (2019)

384 Citations

Flexible Docking in Solution Using Metadynamics

Francesco Luigi Gervasio;and Alessandro Laio;Michele Parrinello.
Journal of the American Chemical Society (2005)

314 Citations

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

Riccardo Chelli;Francesco Luigi Gervasio;Piero Procacci;Vincenzo Schettino.
Journal of the American Chemical Society (2002)

281 Citations

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

Elena Papaleo;Giorgio Saladino;Matteo Lambrughi;Kresten Lindorff-Larsen.
Chemical Reviews (2016)

270 Citations

Molecular basis of cyclooxygenase enzymes (COXs) selective inhibition

Vittorio Limongelli;Massimiliano Bonomi;Luciana Marinelli;Francesco Luigi Gervasio.
Proceedings of the National Academy of Sciences of the United States of America (2010)

213 Citations

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