The DOI matches its Crossref record; 93 of the 93 references it cites were found in a registry or an index.
Exploring chemistry with the fragment molecular orbital method
Abstract
The fragment molecular orbital (FMO) method makes possible nearly linear scaling calculations of large molecular systems, such as water clusters, proteins and DNA. In particular, FMO has been widely used in biochemical applications involving protein-ligand binding and drug design. The method has been efficiently parallelized suitable for petascale computing. Many commonly used wave functions and solvent models have been interfaced with FMO. We review the historical background of FMO, and summarize its method development and applications.
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Smith, J. S., Isayev, O., & Roitberg, A. E. (2017) · Chemical Science · doi:10.1039/c6sc05720a · Cited by 1,921
Computational electrochemistry: prediction of liquid-phase reduction potentials
Marenich, A. V., Ho, J., Coote, M. L., Cramer, C. J., & Truhlar, D. G. (2014) · Phys. Chem. Chem. Phys. · doi:10.1039/c4cp01572j · Cited by 508
Computational Approach to Molecular Catalysis by 3d Transition Metals: Challenges and Opportunities
Vogiatzis, K. D., Polynski, M. V., Kirkland, J. K., Townsend, J., Hashemi, A., Liu, C., & Pidko, E. A. (2019) · Chemical Reviews · doi:10.1021/acs.chemrev.8b00361 · Cited by 423
Metadata
- Authors
- Fedorov, D. G., Nagata, T., & Kitaura, K.
- Venue
- Physical Chemistry Chemical Physics
- Publisher
- Royal Society of Chemistry (RSC)
- Published
- 2012
- Volume
- 14
- Issue
- 21
- Pages
- 7562
- ISSN
- 1463-9076 (ISSN-L)
- 1463-9084
- OpenAlex
- W2095227025
- Cited by
- 375
- References
- 93
- FWCI
- 17.28
- Type
- journal article
- Language
- en
- Open access
- closed
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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