Fragment molecular orbital study of the cAMP-dependent protein kinase catalyzed phosphoryl transfer: a comparison with the differential transition state stabilization method
Author:
Affiliation:
1. Applied Physical Chemistry
2. KTH Royal Institute of Technology
3. SE-100 44 Stockholm
4. Sweden
Abstract
The importance of key residues to the activity of the cAMP-dependent protein kinase catalyzed phosphoryl transfer and to the stabilization of the transition state of the reaction has been investigated by means of the fragment molecular orbital method.
Funder
Vetenskapsrådet
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP02623K
Reference29 articles.
1. An exciting but challenging road ahead for computational enzyme design
2. Kemp elimination catalysts by computational enzyme design
3. How Enzymes Work: Analysis by Modern Rate Theory and Computer Simulations
4. The importance of three-body terms in the fragment molecular orbital method
5. Towards quantum-based modeling of enzymatic reaction pathways: Application to the acetylholinesterase catalysis
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