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Chemistry

D-Index
42
Citations
12032
World Ranking
17376
National Ranking
696

Overview

Andrea Amadei is affiliated with the University of Rome Tor Vergata in Italy. Their research primarily spans the fields of Physics and Astronomy as well as Chemistry, with notable work in subfields such as Atomic and Molecular Physics, and Optics, Molecular Biology, Physical and Theoretical Chemistry, Spectroscopy, and Organic Chemistry.

The scientist's studies focus on several key topics including:

  • Spectroscopy and Quantum Chemical Studies
  • Protein Structure and Dynamics
  • Photochemistry and Electron Transfer Studies
  • Advanced Chemical Physics Studies
  • Molecular Junctions and Nanostructures
  • Material Dynamics and Properties
  • Molecular spectroscopy and chirality

Andrea Amadei's recent publications reflect an emphasis on theoretical and computational chemistry alongside spectroscopy. Selected papers include:

  • "Theoretical Modeling of Redox Potentials of Biomolecules," 2022, Molecules
  • "Theoretical Characterization of the Reduction Potentials of Nucleic Acids in Solution," 2021, Journal of Chemical Theory and Computation
  • "Modeling amino-acid side chain infrared spectra: the case of carboxylic residues," 2020, Physical Chemistry Chemical Physics
  • "PyMM: An Open-Source Python Program for QM/MM Simulations Based on the Perturbed Matrix Method," 2022, Journal of Chemical Theory and Computation
  • "Exploring alternative normalization approaches for life cycle assessment," 2023, The International Journal of Life Cycle Assessment

The frequent venues where Andrea Amadei publishes their work include:

  • Molecules
  • Journal of Chemical Theory and Computation
  • The Journal of Chemical Physics
  • Physical Chemistry Chemical Physics
  • The Journal of Physical Chemistry B

Repeated collaborations feature several coauthors, such as:

  • Marco D'Abramo
  • Massimiliano Aschi
  • Cheng Giuseppe Chen
  • Isabella Daidone
  • Alessandro Nicola Nardi

Best Publications

  • Essential dynamics of proteins

    Andrea Amadei;Antonius B. M. Linssen;Herman J. C. Berendsen

  • AN EFFICIENT METHOD FOR SAMPLING THE ESSENTIAL SUBSPACE OF PROTEINS

    A Amadei;A.B M Linssen;B.L. de Groot;D.M.F. van Aalten

  • On the convergence of the conformational coordinates basis set obtained by the essential dynamics analysis of proteins' molecular dynamics simulations.

    Andrea Amadei;Marc A. Ceruso;Alfredo Di Nola

  • Prediction of Protein Conformational Freedom From Distance Constraints

    B.L. de Groot;D.M.F. van Aalten;Ruud Scheek;A Amadei

  • The essential dynamics of thermolysin: confirmation of the hinge-bending motion and comparison of simulations in vacuum and water.

    D.M.F. van Aalten;A Amadei;A.B M Linssen;V.G.H. Eijsink

  • Essential dynamics of the cellular retinol-binding protein - Evidence for ligand-induced conformational changes

    D.M.F. van Aalten;J.B.C. Findlay;A Amadei;H.J.C. Berendsen

  • A Comparison of Techniques for Calculating Protein Essential Dynamics

    D.M.F. van Aalten;B.L. de Groot;J.B.C. Findlay;H.J.C. Berendsen

  • Domain motions in bacteriophage T4 lysozyme: a comparison between molecular dynamics and crystallographic data.

    B.L. de Groot;S. Hayward;D.M.F van Aalten;A. Amadei

  • Extended molecular dynamics simulation of the carbon monoxide migration in sperm whale myoglobin.

    Cecilia Bossa;Massimiliano Anselmi;Danilo Roccatano;Andrea Amadei

  • A first-principles method to model perturbed electronic wavefunctions: the effect of an external homogeneous electric field

    M. Aschi;M. Aschi;R. Spezia;A. Di Nola;A. Amadei

  • A molecular dynamics study of the 41-56 beta-hairpin from B1 domain of protein G.

    Danilo Roccatano;Andrea Amadei;Alfredo Di Nola;Herman J. C. Berendsen

  • Essential dynamics: foundation and applications

    Isabella Daidone;Andrea Amadei

  • The consistency of large concerted motions in proteins in molecular dynamics simulations

    B.L. de Groot;D.M.F. van Aalten;A Amadei;H.J.C. Berendsen

  • An extended sampling of the configurational space of HPr from E-coli

    B.L. de Groot;A Amadei;Ruud Scheek;N.A.J. van Nuland

  • Protein dynamics derived from clusters of crystal structures.

    D.M.F. van Aalten;D.A. Conn;B.L. de Groot;H.J.C. Berendsen

  • Molecular dynamics simulations with constrained roto-translational motions: Theoretical basis and statistical mechanical consistency

    A. Amadei;G. Chillemi;M. A. Ceruso;A. Grottesi

  • Molecular Dynamics Simulation of Sperm Whale Myoglobin: Effects of Mutations and Trapped CO on the Structure and Dynamics of Cavities

    Cecilia Bossa;Andrea Amadei;Isabella Daidone;Massimiliano Anselmi

  • Effect of high exogenous electric pulses on protein conformation: myoglobin as a case study.

    Paolo Marracino;Francesca Apollonio;Micaela Liberti;Guglielmo d'Inzeo

  • A kinetic model for the internal motions of proteins: Diffusion between multiple harmonic wells

    A. Amadei;A. Amadei;B.L. de Groot;M.-A. Ceruso;M. Paci

  • Towards an Exhaustive Sampling of the Configurational Spaces of the Two Forms of the Peptide Hormone Guanylin

    B.L. de Groot;A Amadei;D.M.F. van Aalten;H.J.C. Berendsen

Frequent Co-Authors

Herman J. C. Berendsen
Herman J. C. Berendsen University of Groningen
Danilo Roccatano
Danilo Roccatano University of Lincoln
Vincenzo Barone
Vincenzo Barone Scuola Normale Superiore di Pisa
Jeremy C. Smith
Jeremy C. Smith University of Tennessee at Knoxville
Stefano Corni
Stefano Corni University of Padua
Martin Gruebele
Martin Gruebele University of Illinois at Urbana-Champaign
Modesto Orozco
Modesto Orozco University of Barcelona
Maurizio Brunori
Maurizio Brunori Sapienza University of Rome
R. Brian Dyer
R. Brian Dyer Emory University
Ehud Gazit
Ehud Gazit Tel Aviv University

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