Drastic Compensation of Electronic and Solvation Effects on ATP Hydrolysis Revealed through Large-Scale QM/MM Simulations Combined with a Theory of Solutions-Reference-Cited by-同舟云学术

Drastic Compensation of Electronic and Solvation Effects on ATP Hydrolysis Revealed through Large-Scale QM/MM Simulations Combined with a Theory of Solutions

Published:2017-03-07 Issue:10 Volume:121 Page:2279-2287
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Takahashi Hideaki¹^ORCID,Umino Satoru¹,Miki Yuji¹,Ishizuka Ryosuke²,Maeda Shu²,Morita Akihiro¹,Suzuki Makoto³,Matubayasi Nobuyuki²^ORCID

Affiliation:

1. Department of Chemistry, Graduate School of Science, Tohoku University, Sendai, Miyagi 980-8578, Japan

2. Department of Chemical Engineering, Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531, Japan

3. Department of Materials Processing, Graduate School of Engineering, Tohoku University, Sendai, Miyagi 980-8579, Japan

Funder

Ministry of Education, Culture, Sports, Science and Technology

Japan Society for the Promotion of Science

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.7b00637

Reference67 articles.

1. “Squiggle-H2O”. An enquiry into the importance of solvation effects in phosphate ester and anhydride reactions

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