Open AccessComputational study of the enantiomeric control of acetylation reactions by interaction with oligopeptides
Author(s) -
Leandro Martı́nez,
Iago Teixeira De Souza E Silva
Publication year - 2015
Publication title -
anais do congresso de iniciação científica da unicamp
Language(s) - English
Resource type - Conference proceedings
ISSN - 2447-5114
DOI - 10.19146/pibic-2015-37371
Subject(s) - oligopeptide , acetylation , enantiomer , chemistry , computer science , stereochemistry , biochemistry , peptide , gene
Two systems containing a tetrapeptide in chloroform, one with and the other without a bisphenolic substrate were subjected to molecular dynamics simulations, and the number of hydrogen bonds formed between phenolic groups in the substrate and the catalyst was computed; it was found that the observed enantioselectivity contradicts the one found experimentally.
Accelerating Research
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom
Address
John Eccles HouseRobert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom