Successes and Challenges in Multiscale Modelling of Artificial Metalloenzymes: the Case Study of POP-Rh2 Cyclopropanase
Keyword(s):
Molecular modelling applications in metalloenzyme design are still scarce due to a series of challenges. In top of that, the simulations of metal-mediated binding and the identification of catalytic competent...
Keyword(s):
2017 ◽
Vol 231
(5)
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pp. 378-390
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