Reaction mechanism of NO with hydrolysates of NAMI-A: an MD simulation by combining the QM/MM(ABEEM) with the MD-FEP method
Author:
Affiliation:
1. School of Chemistry and Chemical Engineering; Liaoning Normal University; Dalian 116029 People's Republic of China
2. Department of Chemistry; Bohai University; Jinzhou 121013 China
Funder
National Natural Science Foundation of China
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.25734/fullpdf
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1. Ruthenium-based chemotherapeutics: are they ready for prime time?
2. Ruthenium Complexes as Anticancer Agents
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