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Model-based method for the screening of solvents for chemical reactions

✍ Scribed by Zhou, Teng; Qi, Zhiwen; Sundmacher, Kai


Book ID
121785264
Publisher
Elsevier Science
Year
2014
Tongue
English
Weight
927 KB
Volume
115
Category
Article
ISSN
0009-2509

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✍ Katsumi Murata; Naoya Nagata; Isao Nakanishi; Kazuo Kitaura πŸ“‚ Article πŸ“… 2010 πŸ› John Wiley and Sons 🌐 English βš– 406 KB

## Abstract We previously reported that solvent dipole ordering (SDO) at the ligand binding site of a protein indicates an outline of the preferred shape and binding pose of the ligands. We suggested that SDO‐mimetic pseudo‐molecules that mimic the 3D shape of the SDO region could be used as molecu