Liu et al., 2013 - Google Patents
A knowledge-based halogen bonding scoring function for predicting protein-ligand interactionsLiu et al., 2013
- Document ID
- 6735886203636450038
- Author
- Liu Y
- Xu Z
- Yang Z
- Chen K
- Zhu W
- Publication year
- Publication venue
- Journal of molecular modeling
External Links
Snippet
Halogen bonding, a non-covalent interaction between the halogen σ-hole and Lewis bases, could not be properly characterized by majority of current scoring functions. In this study, a knowledge-based halogen bonding scoring function, termed XBPMF, was developed by an …
- 229910052736 halogen 0 title abstract description 84
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- G06F19/10—Bioinformatics, i.e. methods or systems for genetic or protein-related data processing in computational molecular biology
- 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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