Spectral features of the ferrous–CO complex in cytochrome P450: a revisit using TDDFT calculations
Hirao, Hajime, Xia, Songyan, Liu, Shuyang
Published in Journal of biological inorganic chemistry (01.02.2023)
Published in Journal of biological inorganic chemistry (01.02.2023)
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Published in Inorganic chemistry (07.11.2022)
Published in Inorganic chemistry (07.11.2022)
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On the force field optimisation of Formula: see text-lactam cores using the force field Toolkit
Wu, Qiyang, Huang, Tianyang, Xia, Songyan, Otto, Frank, Lee, Tzong-Yi, Huang, Hsien-Da, Chiang, Ying-Chih
Published in Journal of computer-aided molecular design (01.07.2022)
Published in Journal of computer-aided molecular design (01.07.2022)
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Journal Article
On the force field optimisation of \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$\beta$$\end{document}β-lactam cores using the force field Toolkit
Wu, Qiyang, Huang, Tianyang, Xia, Songyan, Otto, Frank, Lee, Tzong-Yi, Huang, Hsien-Da, Chiang, Ying-Chih
Published in Journal of computer-aided molecular design (01.01.2022)
Published in Journal of computer-aided molecular design (01.01.2022)
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Journal Article
On the force field optimisation of [Formula: see text]-lactam cores using the force field Toolkit
Wu, Qiyang, Huang, Tianyang, Xia, Songyan, Otto, Frank, Lee, Tzong-Yi, Huang, Hsien-Da, Chiang, Ying-Chih
Published in Journal of computer-aided molecular design (01.07.2022)
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Published in Journal of computer-aided molecular design (01.07.2022)
Journal Article