"Geometry Optimization Using the Frozen Domain and Partial Dimer Approaches ..."

Koji Okuwaki et al. (2024)

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DOI: 10.1021/ACS.JCIM.4C01280

access: closed

type: Journal Article

metadata version: 2025-01-29

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Koji Okuwaki, Naoki Watanabe, Koichiro Kato, Chiduru Watanabe, Naofumi Nakayama, Akifumi Kato, Yuji Mochizuki, Tatsuya Nakano, Teruki Honma, Kaori Fukuzawa:
Geometry Optimization Using the Frozen Domain and Partial Dimer Approaches in the Fragment Molecular Orbital Method: Implementation, Benchmark, and Applications to Protein Ligand-Binding Sites. J. Chem. Inf. Model. 64(24): 9449-9458 (2024)

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