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Disambiguation of "Fedorov, Dmitri G."

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

, , , , and . J. Comput. Chem., 25 (6): 872-880 (2004)

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Kirill Fedorov

Sergej Fedorov

Maxim Fedorov

Andrej Fedorov

Mikhail Fedorov

 

Other publications of authors with the same name

Implementation of replica-exchange umbrella sampling in GAMESS., , , and . Comput. Phys. Commun., (2018)The polarizable continuum model (PCM) interfaced with the fragment molecular orbital method (FMO)., , , , and . J. Comput. Chem., 27 (8): 976-985 (2006)Three-body expansion of the fragment molecular orbital method combined with density-functional tight-binding., and . J. Comput. Chem., 38 (7): 406-418 (2017)Energy gradients in combined fragment molecular orbital and polarizable continuum model (FMO/PCM) calculation., , , , , and . J. Comput. Chem., 31 (4): 778-790 (2010)Hotspot Identification and Drug Design of Protein-Protein Interaction Modulators Using the Fragment Molecular Orbital Method., , , , , and . J. Chem. Inf. Model., 62 (16): 3784-3799 (2022)Full Electron Calculation Beyond 20, 000 Atoms: Ground Electronic State of Photosynthetic Proteins., , , , , , , and . SC, page 10. IEEE Computer Society, (2005)Pair interaction energy decomposition analysis., and . J. Comput. Chem., 28 (1): 222-237 (2007)The Fragment Molecular Orbital Method Reveals New Insight into the Chemical Nature of GPCR-Ligand Interactions., , , , , , , and . J. Chem. Inf. Model., 56 (1): 159-172 (2016)Polarization energies in the fragment molecular orbital method.. J. Comput. Chem., 43 (16): 1094-1103 (2022)Change in a protein's electronic structure induced by an explicit solvent: An ab initio fragment molecular orbital study of ubiquitin., , , and . J. Comput. Chem., 28 (10): 1750-1762 (2007)