Transition States in a Protein Environment − ONIOM QM:MM Modeling of Isopenicillin N Synthesis-Reference-Cited by-同舟云学术

Transition States in a Protein Environment − ONIOM QM:MM Modeling of Isopenicillin N Synthesis

Published:2008-12-03 Issue:1 Volume:5 Page:222-234
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Lundberg Marcus¹,Kawatsu Tsutomu¹,Vreven Thom¹,Frisch Michael J.¹,Morokuma Keiji¹

Affiliation:

1. Fukui Institute for Fundamental Chemistry, Kyoto University, 34-4 Takano Nishihiraki-cho, Sakyo-ku, Kyoto 606-8103, Japan, and Gaussian, Inc., 340 Quinnipiac Street, Building 40, Wallingford, Connecticut 06492

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct800457g

Reference53 articles.

1. Catalytic Proficiency: The Unusual Case of OMP Decarboxylase

2. Electrostatic Basis for Enzyme Catalysis

3. Isopenicillin N synthase: mechanistic studies

4. Isopenicillin N Synthase: An Enzyme at Work

5. IMOMM: A new integratedab initio + molecular mechanics geometry optimization scheme of equilibrium structures and transition states

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