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Chemistry

D-Index
42
Citations
5518
World Ranking
17619
National Ranking
962

Overview

Danilo Roccatano is affiliated with the University of Lincoln in the United Kingdom and conducts research primarily in the fields of Biochemistry, Genetics and Molecular Biology, as well as Materials Science. Their work spans several interdisciplinary subfields, including Molecular Biology, Infectious Diseases, Materials Chemistry, Electrical and Electronic Engineering, and Ecology.

The research topics covered by Danilo Roccatano include:

  • Protein Structure and Dynamics
  • SARS-CoV-2 and COVID-19 Research
  • SARS-CoV-2 detection and testing
  • Bacteriophages and microbial interactions
  • Advanced biosensing and bioanalysis techniques
  • Gold and Silver Nanoparticles Synthesis and Applications
  • Supramolecular Self-Assembly in Materials

Their publication record includes contributions to multiple scientific journals, with frequent publications in:

  • The Journal of Chemical Physics
  • Journal of Colloid and Interface Science
  • Journal of Molecular Liquids
  • Physics Education
  • Wiley Interdisciplinary Reviews Computational Molecular Science

Selected recent papers authored by Danilo Roccatano are:

  • "A molecular dynamics simulation study of glycine/serine octapeptides labeled with 2,3-diazabicyclo[2.2.2]oct-2-ene fluorophore" (2024, The Journal of Chemical Physics)
  • "Binding dynamics of linear alkyl-sulfates of different chain lengths on a protein surface" (2024, Journal of Molecular Liquids)
  • "A molecular dynamics simulation study of EthylChlorophyllide A molecules confined in a SiO2 nanoslit" (2024, The Journal of Chemical Physics)
  • "Explore the physics of soap films with the SoapFilmScope" (2025, Physics Education)

Additionally, Danilo Roccatano co-authored a paper titled "Modelling the adsorption of proteins to nanoparticles at the solid-liquid interface" (2021, Journal of Colloid and Interface Science).

Frequent collaborators include:

  • Mikhail Soloviev
  • Giuliano Siligardi
  • Enrico Ferrari
  • Khadga Jung Karki

These collaborations reflect interdisciplinary approaches intersecting computational molecular science, material chemistry, and biophysical studies. Danilo Roccatano's research contributes to advancing understanding in biomolecular interactions, nanomaterials, and bioanalytical techniques.

Best Publications

  • Mechanism by which 2,2,2-trifluoroethanol/water mixtures stabilize secondary-structure formation in peptides: A molecular dynamics study

    Danilo Roccatano;Giorgio Colombo;Marco Fioroni;Alan E. Mark

  • A statistical analysis of random mutagenesis methods used for directed protein evolution.

    Tuck Seng Wong;Danilo Roccatano;Martin Zacharias;Ulrich Schwaneberg

  • Docking of flexible ligands to flexible receptors in solution by molecular dynamics simulation

    Massimiliano Mangoni;Danilo Roccatano;Alfredo Di Nola

  • An extended x‐ray absorption fine structure study of aqueous solutions by employing molecular dynamics simulations

    P. D’Angelo;A. Di Nola;A. Filipponi;N. V. Pavel

  • Molecular dynamics simulation of the docking of substrates to proteins

    A Dinola;D Roccatano;Hjc Berendsen

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

    Cecilia Bossa;Massimiliano Anselmi;Danilo Roccatano;Andrea 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

  • A new 2,2,2-trifluoroethanol model for molecular dynamics simulations

    Marco Fioroni;Klaus Burger;Alan E. Mark;Danilo Roccatano

  • A 10-A spectroscopic ruler applied to short polyprolines.

    Harekrushna Sahoo;Danilo Roccatano;and Andreas Hennig;Werner M. Nau

  • β‐Hairpin conformation of fibrillogenic peptides: Structure and α‐β transition mechanism revealed by molecular dynamics simulations

    Isabella Daidone;Fabio Simona;Danilo Roccatano;Ricardo A. Broglia

  • Effect of hexafluoroisopropanol alcohol on the structure of melittin: A molecular dynamics simulation study

    Danilo Roccatano;Marco Fioroni;Martin Zacharias;Giorgio Colombo

  • Structural flexibility of the nucleosome core particle at atomic resolution studied by molecular dynamics simulation

    Danilo Roccatano;Andre Barthel;Martin W. Zacharias

  • Modular assembly of proteins on nanoparticles.

    Wenwei Ma;Angela Saccardo;Danilo Roccatano;Dorothy Aboagye-Mensah

  • Understanding the Interaction of Block Copolymers with DMPC Lipid Bilayer Using Coarse-Grained Molecular Dynamics Simulations

    Samira Hezaveh;Susruta Samanta;Antonio De Nicola;Giuseppe Milano

  • Steering directed protein evolution: strategies to manage combinatorial complexity of mutant libraries.

    Tuck Seng Wong;Danilo Roccatano;Ulrich Schwaneberg

  • Model of 1,1,1,3,3,3-Hexafluoro-propan-2-ol for Molecular Dynamics Simulations

    Marco Fioroni;Klaus Burger;and Alan E. Mark;Danilo Roccatano

  • Distance distributions of short polypeptides recovered by fluorescence resonance energy transfer in the 10 Å domain

    Harekrushna Sahoo;Danilo Roccatano;Martin Zacharias;Werner M. Nau

  • Directed evolution of a highly active Yersinia mollaretii phytase

    Amol V. Shivange;Amol V. Shivange;Annegret Serwe;Alexander Dennig;Danilo Roccatano

  • Transversion-enriched sequence saturation mutagenesis (SeSaM-Tv+): a random mutagenesis method with consecutive nucleotide exchanges that complements the bias of error-prone PCR.

    Tuck Seng Wong;Danilo Roccatano;David Loakes;Kang Lan Tee

  • Laboratory evolution of P450 BM3 for mediated electron transfer yielding an activity-improved and reductase-independent variant

    Jovana Nazor;Stephanie Dannenmann;Richard Obeng Adjei;Yaw Boafo Fordjour

Frequent Co-Authors

Ulrich Schwaneberg
Ulrich Schwaneberg RWTH Aachen University
Martin Zacharias
Martin Zacharias Technical University of Munich
Andrea Amadei
Andrea Amadei University of Rome Tor Vergata
Werner M. Nau
Werner M. Nau Jacobs University
Alan E. Mark
Alan E. Mark University of Queensland
Paola D’Angelo
Paola D’Angelo Sapienza University of Rome
Matthias Wilmanns
Matthias Wilmanns Universität Hamburg
Bernhard Hauer
Bernhard Hauer University of Stuttgart
Maurizio Brunori
Maurizio Brunori Sapienza University of Rome
Gianfranco Amicosante
Gianfranco Amicosante University of L'Aquila

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