Regularized ab initio molecular...

Inverse Problems in Science and Engineering 2020 / 07

Regularized ab initio molecular force fields for key biological molecules: melatonin and pyridoxal-5′-phosphate methylamine Shiff base (Vitamin B6)

Kuramshina, Gulnara M., Kochikov, Igor V., Sharapova, Svetlana A.
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Journal:
Inverse Problems in Science and Engineering
DOI:
10.1080/17415977.2020.1797717
Date:
July, 2020
File:
PDF, 1.92 MB
2020
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