RA specifications


Unique identifier OMICS_15751
Name RA
Alternative name Reacting Atom
Interface Web user interface
Restrictions to use License purchase required
Input data Use SMILES, MOL file or Marvin Javascript applet for input data on a structure of test compound.
Input format SMILES, MOL, JS
Computer skills Basic
Stability Stable
Maintained Yes


  • person_outline Anastasia Rudik

Publication for Reacting Atom

RA citation


Isotope Effects as Probes for Enzyme Catalyzed Hydrogen Transfer Reactions

PMCID: 4342783
PMID: 23673528
DOI: 10.3390/molecules18055543

[…] cally report on the extent to which the central atom changed its hybridization in going from GS to TS. β-2° KIEs, on the other hand, refer to isotopic substitution at a position two bonds away from a reacting atom, and report on the extent of charge formation at the TS, since different isotopes allow for differing levels of hyperconjugation []. In semi-classical theory, the direction (normal or in […]

RA institution(s)
Laboratory for Structure-Function Based Drug Design, Institute of Biomedical Chemistry, Moscow, Russia; Medico-Biological Faculty, Pirogov Russian National Research Medical University, Moscow, Russia
RA funding source(s)
This project was supported by Russian Science Foundation Grant 14-15-00449.

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