Title:	Electric fields in enzymes
DNr:	SNIC 2022/5-636
Project Type:	SNIC Medium Compute
Principal Investigator:	Yasmin Binti Shamsudin <yasmin.shamsudin@kemi.uu.se>
Affiliation:	Uppsala universitet
Duration:	2023-02-01 – 2023-12-01
Classification:	10203 10407 10603
Homepage:	https://www.kemi.uu.se/bmc/research/biochemistry/research-areas/binti-shamsudin-group/research-projects
Keywords:

Abstract

Electric fields can affect reaction rates in enzymes. In this project we develop and test a computational approach for predicting electric fields projected at the reaction centers. Successful methods development could lead to further understanding of the roles of electric fields in catalysis, which could lead to applications in drug design and the engineering of artificial enzymes.