Li et al., 2020 - Google Patents
Prediction of the favorable hydration sites in a protein binding pocket and its application to scoring function formulationLi et al., 2020
- Document ID
- 198029259393272815
- Author
- Li Y
- Gao Y
- Holloway M
- Wang R
- Publication year
- Publication venue
- Journal of Chemical Information and Modeling
External Links
Snippet
The important role of water molecules in protein–ligand binding energetics has attracted wide attention in recent years. A range of computational methods has been developed to predict the favorable locations of water molecules in a protein binding pocket. Most of the …
- 230000036571 hydration 0 title abstract description 72
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- G06F19/16—Bioinformatics, i.e. methods or systems for genetic or protein-related data processing in computational molecular biology for molecular structure, e.g. structure alignment, structural or functional relations, protein folding, domain topologies, drug targeting using structure data, involving two-dimensional or three-dimensional structures
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- G06F19/18—Bioinformatics, i.e. methods or systems for genetic or protein-related data processing in computational molecular biology for functional genomics or proteomics, e.g. genotype-phenotype associations, linkage disequilibrium, population genetics, binding site identification, mutagenesis, genotyping or genome annotation, protein-protein interactions or protein-nucleic acid interactions
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