Charge patching method for the calculation of Electronic Structure of Polypeptide

Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP01803K, PaperChang-liang Sun, Liping Liu, Fubo Tian, Fu Ding, Lin-Wang Wang Theoretical study of electronic structures of protein is a fundamental challenge in computational biochemistry due to the large size of the systems. The electronic structure of protein is important for... The content of this RSS Feed (c) The Royal Society of Chemistry
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