Incorporating Protein Environments in Density Functional Theory: A Self-Consistent Reaction Field Calculation of Redox Potentials of [2Fe2S] Clusters in Ferredoxin and Phthalate Dioxygenase Reductase-Reference-Cited by-同舟云学术

Incorporating Protein Environments in Density Functional Theory: A Self-Consistent Reaction Field Calculation of Redox Potentials of [2Fe2S] Clusters in Ferredoxin and Phthalate Dioxygenase Reductase

Published:1998-07-01 Issue:31 Volume:102 Page:6311-6324
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Li Jian¹,Nelson Melanie R.¹,Peng Chun Y.¹,Bashford Donald¹,Noodleman Louis¹

Affiliation:

1. Department of Molecular Biology, TPC-15, The Scripps Research Institute, La Jolla, California 92037

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp980753w

Reference109 articles.

1. Computer simulations of enzymatic reactions

2. Computer simulation of enzymatic reactions

3. Computer modelling of enzyme catalysed reaction mechanisms

4. An inhomogeneous self‐consistent reaction field theory of protein core effects. Towards a quantum scheme for describing enzyme reactions

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