Dmitri G. Fedorov
Orcid: 0000-0003-2530-5989
According to our database1,
Dmitri G. Fedorov
authored at least 21 papers
between 2004 and 2023.
Collaborative distances:
Collaborative distances:
Timeline
Legend:
Book In proceedings Article PhD thesis Dataset OtherLinks
On csauthors.net:
Bibliography
2023
Complete Guide to the Fragment Molecular Orbital Method in GAMESS - From One Atom to a Million, at your Service
WorldScientific, ISBN: 9789811263644, 2023
2022
Hotspot Identification and Drug Design of Protein-Protein Interaction Modulators Using the Fragment Molecular Orbital Method.
J. Chem. Inf. Model., 2022
J. Comput. Chem., 2022
2019
2018
Analytic second derivatives for the efficient electrostatic embedding in the fragment molecular orbital method.
J. Comput. Chem., 2018
Comput. Phys. Commun., 2018
2017
Three-body expansion of the fragment molecular orbital method combined with density-functional tight-binding.
J. Comput. Chem., 2017
Rapid and accurate assessment of GPCR-ligand interactions Using the fragment molecular orbital-based density-functional tight-binding method.
J. Comput. Chem., 2017
2016
The Fragment Molecular Orbital Method Reveals New Insight into the Chemical Nature of GPCR-Ligand Interactions.
J. Chem. Inf. Model., 2016
2014
Proceedings of the 2014 ICPR Workshop on Computer Vision for Analysis of Underwater Imagery, 2014
2012
Heuristic static load-balancing algorithm applied to the fragment molecular orbital method.
Proceedings of the SC Conference on High Performance Computing Networking, 2012
2010
Energy gradients in combined fragment molecular orbital and polarizable continuum model (FMO/PCM) calculation.
J. Comput. Chem., 2010
Fragment molecular orbital study of the electronic excitations in the photosynthetic reaction center of <i>Blastochloris viridis</i>.
J. Comput. Chem., 2010
2008
Polarizable continuum model with the fragment molecular orbital-based time-dependent density functional theory.
J. Comput. Chem., 2008
2007
Change in a protein's electronic structure induced by an explicit solvent: An <i>ab initio</i> fragment molecular orbital study of ubiquitin.
J. Comput. Chem., 2007
Accuracy of the three-body fragment molecular orbital method applied to Møller-Plesset perturbation theory.
J. Comput. Chem., 2007
2006
The polarizable continuum model (PCM) interfaced with the fragment molecular orbital method (FMO).
J. Comput. Chem., 2006
2005
Ab initio fragment molecular orbital (FMO) method applied to analysis of the ligand-protein interaction in a pheromone-binding protein.
Comput. Biol. Chem., 2005
Full Electron Calculation Beyond 20, 000 Atoms: Ground Electronic State of Photosynthetic Proteins.
Proceedings of the ACM/IEEE SC2005 Conference on High Performance Networking and Computing, 2005
2004
A new hierarchical parallelization scheme: Generalized distributed data interface (GDDI), and an application to the fragment molecular orbital method (FMO).
J. Comput. Chem., 2004