World's Best Scientists 2026 revealed!

D-Index & Metrics

Chemistry

D-Index
68
Citations
15492
World Ranking
6571
National Ranking
480

Paolo Carloni publication distribution in Chemistry in 2026

The chart shows the distribution of publications by all Research.com ranked scientists in the field of Chemistry in 2026. The highlighted bar marks where Paolo Carloni sits on this spectrum.

61–80 publications: 66 scientists 81–100 publications: 302 scientists 101–120 publications: 623 scientists 121–140 publications: 918 scientists 141–160 publications: 1,218 scientists 161–180 publications: 1,350 scientists 181–200 publications: 1,344 scientists 201–220 publications: 1,281 scientists 221–240 publications: 1,216 scientists 241–260 publications: 1,100 scientists 261–280 publications: 979 scientists 281–300 publications: 939 scientists 301–320 publications: 764 scientists 321–340 publications: 643 scientists 341–360 publications: 628 scientists 361–380 publications: 522 scientists 381–400 publications: 459 scientists 401–420 publications: 397 scientists 421–440 publications: 327 scientists 441–460 publications: 270 scientists 461–480 publications: 265 scientists 481–500 publications: 252 scientists 501–520 publications: 201 scientists 521–540 publications: 185 scientists 541–560 publications: 148 scientists 561–580 publications: 148 scientists 581–600 publications: 132 scientists 601–620 publications: 114 scientists 621–640 publications: 104 scientists 641–660 publications: 91 scientists 661–680 publications: 92 scientists 681–700 publications: 73 scientists 701–720 publications: 57 scientists 721–740 publications: 54 scientists 741–760 publications: 67 scientists 761–780 publications: 45 scientists 781–800 publications: 46 scientists 801–820 publications: 39 scientists 821–840 publications: 32 scientists 841–860 publications: 36 scientists 861–880 publications: 29 scientists 881–900 publications: 26 scientists 901–920 publications: 24 scientists 921–940 publications: 14 scientists 941–960 publications: 23 scientists 961–980 publications: 28 scientists 981–1,000 publications: 15 scientists 1,001–1,020 publications: 29 scientists 1,021–1,040 publications: 12 scientists 1,041–1,060 publications: 19 scientists 1,061–1,080 publications: 12 scientists 1,081–1,100 publications: 6 scientists 1,101–1,120 publications: 8 scientists 1,121–1,140 publications: 12 scientists 1,141–1,160 publications: 5 scientists 1,161–1,180 publications: 6 scientists 1,181–1,200 publications: 14 scientists 1,201–1,220 publications: 7 scientists 1,221–1,240 publications: 2 scientists 1,241–1,260 publications: 6 scientists 1,261–1,280 publications: 4 scientists 1,281–1,294 publications: 6 scientists 1,295+ publications: 100 scientists
61 publications 1,295+

This scientist: 378 publications — 77th percentile

77% of scientists in this discipline score the same or lower.

The last bar groups every scientist with 1,295 publications or more.

Paolo Carloni D-index placement in Chemistry in 2026

The chart shows the D-index (discipline H-index) distribution of Chemistry scientists ranked by Research.com in 2026. The highlighted bar marks where Paolo Carloni sits on this spectrum.

40–41 D-Index: 289 scientists 42–43 D-Index: 612 scientists 44–45 D-Index: 808 scientists 46–47 D-Index: 776 scientists 48–49 D-Index: 835 scientists 50–51 D-Index: 861 scientists 52–53 D-Index: 872 scientists 54–55 D-Index: 933 scientists 56–57 D-Index: 1,051 scientists 58–59 D-Index: 930 scientists 60–61 D-Index: 882 scientists 62–63 D-Index: 834 scientists 64–65 D-Index: 731 scientists 66–67 D-Index: 775 scientists 68–69 D-Index: 683 scientists 70–71 D-Index: 646 scientists 72–73 D-Index: 561 scientists 74–75 D-Index: 501 scientists 76–77 D-Index: 437 scientists 78–79 D-Index: 388 scientists 80–81 D-Index: 354 scientists 82–83 D-Index: 292 scientists 84–85 D-Index: 275 scientists 86–87 D-Index: 254 scientists 88–89 D-Index: 235 scientists 90–91 D-Index: 185 scientists 92–93 D-Index: 192 scientists 94–95 D-Index: 155 scientists 96–97 D-Index: 163 scientists 98–99 D-Index: 125 scientists 100–101 D-Index: 105 scientists 102–103 D-Index: 105 scientists 104–105 D-Index: 112 scientists 106–107 D-Index: 88 scientists 108–109 D-Index: 68 scientists 110–111 D-Index: 69 scientists 112–113 D-Index: 65 scientists 114–115 D-Index: 79 scientists 116–117 D-Index: 61 scientists 118–119 D-Index: 44 scientists 120–121 D-Index: 37 scientists 122–123 D-Index: 40 scientists 124–125 D-Index: 33 scientists 126–127 D-Index: 26 scientists 128–129 D-Index: 34 scientists 130–131 D-Index: 35 scientists 132–133 D-Index: 25 scientists 134–135 D-Index: 27 scientists 136–137 D-Index: 17 scientists 138–139 D-Index: 16 scientists 140–141 D-Index: 20 scientists 142–143 D-Index: 20 scientists 144–145 D-Index: 15 scientists 146–147 D-Index: 9 scientists 148–149 D-Index: 9 scientists 150–151 D-Index: 16 scientists 152–153 D-Index: 11 scientists 154–155 D-Index: 9 scientists 156–157 D-Index: 3 scientists 158 D-Index: 3 scientists 159+ D-Index: 98 scientists
40 D-Index 159+

This scientist: 68 D-Index — 64th percentile

64% of scientists in this discipline score the same or lower.

The last bar groups every scientist with 159 D-Index or more.

Overview

Paolo Carloni is affiliated with Forschungszentrum Jülich in Germany and has contributed extensively to the field of biochemistry, genetics, and molecular biology. Their work spans several subfields, including molecular biology, materials chemistry, spectroscopy, computational theory and mathematics, and cellular and molecular neuroscience.

The scientist's research covers a variety of main topics, such as:

  • Protein Structure and Dynamics
  • Computational Drug Discovery Methods
  • Receptor Mechanisms and Signaling
  • Lipid Membrane Structure and Behavior
  • Machine Learning in Materials Science
  • Analytical Chemistry and Chromatography
  • RNA and protein synthesis mechanisms

Several recent papers highlight Paolo Carloni's research focus and contributions. These include:

  • "α-Synuclein phosphorylation at serine 129 occurs after initial protein deposition and inhibits seeded fibril formation and toxicity," published in 2022 in Proceedings of the National Academy of Sciences
  • "The balancing act of NEET proteins: Iron, ROS, calcium and metabolism," published in 2020 in Biochimica et Biophysica Acta (BBA) - Molecular Cell Research
  • "A Blueprint for High Affinity SARS-CoV-2 Mpro Inhibitors from Activity-Based Compound Library Screening Guided by Analysis of Protein Dynamics," published in 2021 in ACS Pharmacology & Translational Science
  • "Enhanced-Sampling Simulations for the Estimation of Ligand Binding Kinetics: Current Status and Perspective," published in 2022 in Frontiers in Molecular Biosciences
  • "Accuracy of Molecular Simulation-Based Predictions of k off Values: A Metadynamics Study," published in 2020 in The Journal of Physical Chemistry Letters

Frequent coauthors who collaborate with Paolo Carloni include:

  • Giulia Rossetti
  • Alejandro Giorgetti
  • Mercedes Alfonso-Prieto
  • Emiliano Ippoliti
  • Ke Zuo

Paolo Carloni's research is published in several high-profile venues, reflecting the interdisciplinary nature of the work. Key publication venues include:

  • bioRxiv (Cold Spring Harbor Laboratory)
  • Journal of Chemical Information and Modeling
  • The Journal of Physical Chemistry Letters
  • arXiv (Cornell University)
  • Zenodo (CERN European Organization for Nuclear Research)

Best Publications

  • Promoting transparency and reproducibility in enhanced molecular simulations

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

  • The Role and Perspective of Ab Initio Molecular Dynamics in the Study of Biological Systems

    Paolo Carloni;Ursula Rothlisberger;Michele Parrinello

  • Unbinding Kinetics of a p38 MAP Kinase Type II Inhibitor from Metadynamics Simulations

    Rodrigo Casasnovas;Vittorio Limongelli;Vittorio Limongelli;Pratyush Tiwary;Paolo Carloni

  • Accurate and efficient description of protein vibrational dynamics: comparing molecular dynamics and Gaussian models.

    Cristian Micheletti;Paolo Carloni;Amos Maritan

  • Electronic structure of wet DNA.

    Francesco Luigi Gervasio;Paolo Carloni;Michele Parrinello

  • Coarse-grained model of proteins incorporating atomistic detail of the active site.

    Marilisa Neri;Claudio Anselmi;Michele Cascella;Amos Maritan

  • Key Steps of the cis-Platin-DNA Interaction: Density Functional Theory-Based Molecular Dynamics Simulations

    Paolo Carloni;and Michiel Sprik;Wanda Andreoni

  • Role of protein frame and solvent for the redox properties of azurin from Pseudomonas aeruginosa

    Michele Cascella;Alessandra Magistrato;Ivano Tavernelli;Paolo Carloni

  • Role of conformational fluctuations in the enzymatic reaction of HIV-1 protease.

    Stefano Piana;Paolo Carloni;Michele Parrinello

  • Drug resistance in HIV‐1 protease: Flexibility‐assisted mechanism of compensatory mutations

    Stefano Piana;Paolo Carloni;Ursula Rothlisberger

  • Substrate binding mechanism of HIV-1 protease from explicit-solvent atomistic simulations.

    Fabio Pietrucci;Fabrizio Marinelli;Paolo Carloni;Alessandro Laio

  • Targeting biomolecular flexibility with metadynamics

    Vanessa Leone;Fabrizio Marinelli;Fabrizio Marinelli;Fabrizio Marinelli;Paolo Carloni;Paolo Carloni;Paolo Carloni;Michele Parrinello

  • Ab initio molecular dynamics-based assignment of the protonation state of pepstatin A/HIV-1 protease cleavage site.

    Stefano Piana;Daniel Sebastiani;Paolo Carloni;Michele Parrinello

  • Bioinorganic chemistry of Parkinson's disease: Structural determinants for the copper-mediated amyloid formation of Alpha-Synuclein.

    Andrés Binolfi;Esaú E. Rodriguez;Daniela Valensin;Nicola D’Amelio

  • A covalent PIN1 inhibitor selectively targets cancer cells by a dual mechanism of action

    Elena Campaner;Elena Campaner;Alessandra Rustighi;Alessandro Zannini;Alessandro Zannini;Alberto Cristiani

  • Target-related applications of first principles quantum chemical methods in drug design.

    Andrea Cavalli;Paolo Carloni;Maurizio Recanatini

  • Water and potassium dynamics inside the KcsA K(+) channel.

    Leonardo Guidoni;Vincent Torre;Paolo Carloni;Paolo Carloni

  • Conformational flexibility of the catalytic Asp dyad in HIV-1 protease: An ab initio study on the free enzyme.

    Stefano Piana;Paolo Carloni;Paolo Carloni

  • Reaction Mechanism of HIV-1 Protease by Hybrid Car-Parrinello/Classical MD Simulations

    Stefano Piana;Denis Bucher;Paolo Carloni;Ursula Rothlisberger

  • Inhibition of α-Synuclein Fibrillization by Dopamine Is Mediated by Interactions with Five C-Terminal Residues and with E83 in the NAC Region

    Fernando E. Herrera;Fernando E. Herrera;Alessandra Chesi;Alessandra Chesi;Katerina E. Paleologou;Adrian Schmid

Frequent Co-Authors

Ursula Rothlisberger
Ursula Rothlisberger École Polytechnique Fédérale de Lausanne
Giuseppe Legname
Giuseppe Legname International School for Advanced Studies
Simone Raugei
Simone Raugei Pacific Northwest National Laboratory
Andrea Cavalli
Andrea Cavalli Italian Institute of Technology
Maria Laura Bolognesi
Maria Laura Bolognesi University of Bologna
Matteo Dal Peraro
Matteo Dal Peraro École Polytechnique Fédérale de Lausanne
Rebecca C. Wade
Rebecca C. Wade Heidelberg Institute for Theoretical Studies
Mauro Giacca
Mauro Giacca King's College London
Stefano Gustincich
Stefano Gustincich Italian Institute of Technology

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