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Chemistry

D-Index
59
Citations
14860
World Ranking
10035
National Ranking
716

Overview

Dmitri G. Fedorov is affiliated with the National Institute of Advanced Industrial Science and Technology in Japan. Their research spans several scientific fields, primarily focusing on biochemistry, genetics, molecular biology, physics, astronomy, and chemistry.

Their work covers multiple subfields of study, including molecular biology, atomic and molecular physics and optics, spectroscopy, computational theory and mathematics, and physical and theoretical chemistry.

They have contributed to research topics such as advanced chemical physics studies, spectroscopy and quantum chemical studies, protein structure and dynamics, computational drug discovery methods, mass spectrometry techniques and applications, DNA and nucleic acid chemistry, and photosynthetic processes and mechanisms.

Frequent coauthors in Dmitri G. Fedorov's publications include Vladimir Mironov, Felix N. Tomilin, Alexander Heifetz, Hiroya Nakata, and Olga S. Kolovskaya.

Their research has been published in a variety of scientific venues. The most common publication platforms include:

  • The Journal of Physical Chemistry A
  • Methods in Molecular Biology
  • The Journal of Chemical Physics
  • Physical Chemistry Chemical Physics
  • Journal of Chemical Theory and Computation

Among the recent papers contributed to are:

  • Three-Body Energy Decomposition Analysis Based on the Fragment Molecular Orbital Method, 2020, The Journal of Physical Chemistry A
  • Recent developments in the general atomic and molecular electronic structure system, 2020, The Journal of Chemical Physics
  • Aptamer-Conjugated Superparamagnetic Ferroarabinogalactan Nanoparticles for Targeted Magnetodynamic Therapy of Cancer, 2020, Cancers
  • Towards a quantitative description of excitonic couplings in photosynthetic pigment-protein complexes: quantum chemistry driven multiscale approaches, 2022, Physical Chemistry Chemical Physics
  • Hotspot Identification and Drug Design of Protein-Protein Interaction Modulators Using the Fragment Molecular Orbital Method, 2022, Journal of Chemical Information and Modeling

Dmitri G. Fedorov has also authored book publications, including the title Complete Guide to the Fragment Molecular Orbital Method in GAMESS, published by World Scientific in 2022.

Best Publications

  • Recent developments in the general atomic and molecular electronic structure system.

    Giuseppe M.J. Barca;Colleen Bertoni;Laura Carrington;Dipayan Datta

  • Fragmentation methods: a route to accurate calculations on large systems.

    Mark S. Gordon;Dmitri G. Fedorov;Spencer R. Pruitt;Lyudmila V. Slipchenko

  • Extending the Power of Quantum Chemistry to Large Systems with the Fragment Molecular Orbital Method

    Dmitri G Fedorov;Kazuo Kitaura

  • Pair interaction energy decomposition analysis

    Dmitri G. Fedorov;Kazuo Kitaura

  • The importance of three-body terms in the fragment molecular orbital method.

    Dmitri G. Fedorov;Kazuo Kitaura

  • Exploring chemistry with the fragment molecular orbital method

    Dmitri G. Fedorov;Takeshi Nagata;Takeshi Nagata;Kazuo Kitaura;Kazuo Kitaura

  • Spin-orbit coupling in molecules: Chemistry beyond the adiabatic approximation

    Dmitri G. Fedorov;Shiro Koseki;Michael W. Schmidt;Mark S. Gordon

  • The Fragment Molecular Orbital Method : Practical Applications to Large Molecular Systems

    Dmitri Fedorov;Kazuo Kitaura

  • Second order Møller-Plesset perturbation theory based upon the fragment molecular orbital method.

    Dmitri G. Fedorov;Kazuo Kitaura

  • A new hierarchical parallelization scheme: Generalized distributed data interface (GDDI), and an application to the fragment molecular orbital method (FMO)

    Dmitri G. Fedorov;Ryan M. Olson;Kazuo Kitaura;Mark S. Gordon

  • Coupled-cluster theory based upon the fragment molecular-orbital method.

    Dmitri G. Fedorov;Kazuo Kitaura

  • A study of the relative importance of one and two-electron contributions to spin–orbit coupling

    Dmitri G. Fedorov;Mark S. Gordon

  • The polarizable continuum model (PCM) interfaced with the fragment molecular orbital method (FMO)

    Dmitri G. Fedorov;Kazuo Kitaura;Hui Li;Jan H. Jensen

  • Multilayer formulation of the fragment molecular orbital method (FMO).

    Dmitri G Fedorov;Toyokazu Ishida;Kazuo Kitaura

  • On the accuracy of the 3-body fragment molecular orbital method (FMO) applied to density functional theory

    Dmitri G. Fedorov;Kazuo Kitaura

  • Multiconfiguration self-consistent-field theory based upon the fragment molecular orbital method

    Dmitri G. Fedorov;Kazuo Kitaura

  • The fragment molecular orbital method for geometry optimizations of polypeptides and proteins

    Dmitri G. Fedorov;Toyokazu Ishida;Masami Uebayasi;Kazuo Kitaura

  • The fragment molecular orbital method: theoretical development, implementation in GAMESS, and applications

    Dmitri G. Fedorov

  • GAMESS as a free quantum-mechanical platform for drug research.

    Yuri Alexeev;Michael P. Mazanetz;Osamu Ichihara;Dmitri G. Fedorov

  • Time-dependent density functional theory based upon the fragment molecular orbital method.

    Mahito Chiba;Dmitri G. Fedorov;Kazuo Kitaura

Frequent Co-Authors

Kazuo Kitaura
Kazuo Kitaura Kyoto University
Mark S. Gordon
Mark S. Gordon Iowa State University
Jan H. Jensen
Jan H. Jensen University of Copenhagen
Stephan Irle
Stephan Irle Oak Ridge National Laboratory
Pavel Sorokin
Pavel Sorokin National University of Science and Technology
Lyudmila V. Slipchenko
Lyudmila V. Slipchenko Purdue University West Lafayette
Piotr Piecuch
Piotr Piecuch Michigan State University
M. Madan Babu
M. Madan Babu St. Jude Children's Research Hospital
Bobby G. Sumpter
Bobby G. Sumpter Oak Ridge National Laboratory

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