hydroxamate compound

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Protonation states of central amino acids in a zinc metalloprotease complexed with inhibitor: Molecular mechanics optimizations and ab initio molecular orbital calculations.

Ezawa, Takuya;Saito, Ryosuke;Suzuki, Shusuke;Sugiyama, Satoshi;Sylte, Ingebrigt;Kurita, Noriyuki;

2020 biophysical chemistry DOI: S0301-4622(20)30076-... 226 views

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biophysical chemistry

ISSN: 1873-4200 365 views

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inhibitor drug design metalloprotease antimicrobial resistance bacterial virulence fragment molecular orbital molecular simulation protein-ligand interactions