[HTML][HTML] Molecular mechanisms of bacterial bioluminescence

E Brodl, A Winkler, P Macheroux - Computational and structural …, 2018 - Elsevier
… acids utilizing reduced flavin mononucleotide (FMNH 2 ) as … The flexible hairpin element
above the catalytic serine … LuxE 4 complex based on our homology models in combination with …

Re-engineering of Bacterial Luciferase; for new aspects of bioluminescence

DS Kim, JR Choi, J Ko, K Kim - Current Protein and Peptide …, 2018 - ingentaconnect.com
… to afford a docking surface of transient complex formed … minescent oxidation of reduced flavin
mononucleotide. J. Biol. … structure of the bacterial luciferase/flavin complex provides insight …

QM/MM investigation of the spectroscopic properties of the fluorophore of bacterial luciferase

G Giuliani, F Melaccio, S Gozem… - Journal of chemical …, 2021 - ACS Publications
… involving the reduced flavin mononucleotide (FMNH 2 ; 1 in … The crystal structure of the
luciferase/FMN complex (PDB ID … a cancelation of errors in combination with smaller basis sets …

The biochemistry and molecular biology of bacterial bioluminescence

TO Baldwin, MM Ziegler - Chemistry and biochemistry of …, 2019 - taylorfrancis.com
… The enzyme binds reduced flavin mononucleotide to form a … the enzymology of bacterial
luciferase is difficult for nonspe… facilitate flavin binding and/or docking of one of the accessory …

[HTML][HTML] Synthesis of α, β-unsaturated aldehydes as potential substrates for bacterial luciferases

E Brodl, J Ivkovic, CR Tabib, R Breinbauer… - Bioorganic & Medicinal …, 2017 - Elsevier
flavin mononucleotide (FMNH 2 ) as redox cofactor (Scheme 1). … docking studies were
performed using Yasara Structure 13.9.8. The crystal structure of the luciferase/flavin complex of …

[PDF][PDF] QM/MM Investigation of the Spectroscopic Properties of Bacterial Luciferase

G Giuliani, F Melaccio, S Gozem, A Cappelli, M Olivucci - researchgate.net
… reaction involving the reduced flavin mononucleotide (FMNH2; … The crystal structure of the
luciferase/FMN complex (PDB ID … Mononucleotide Complex Combining Flexible Docking with …

[HTML][HTML] Molecular dynamics simulations on interactions of five antibiotics with luciferase of Vibrio Qinghaiensis sp.-Q67

W Yao, L Mo, L Fang, L Qin - Ecotoxicology and Environmental Safety, 2023 - Elsevier
… of five antibiotics with luciferase using molecular docking and … luciferase protein were
created, the topology of the complex … of FLuc first binds with flavin mononucleotide (FMN) to form …

Computational Studies of Dinoflagellate Luciferase and Radical S-adenosyl-L-methionine Enzymes

PH Donnan - 2022 - etd.auburn.edu
… (E,S)-LO•LCF simulation with … complex, green for the LCF•LH−•O2 ternary complex starting
O2 on the re face of the intermediate, and in magenta for the LCF•LH−•O2 ternary complex

[HTML][HTML] Hormesis of some organic solvents on Vibrio qinghaiensis sp.-Q67 from first binding to the β subunit of luciferase

QF Zheng, M Yu, SS Liu, F Chen - RSC advances, 2017 - pubs.rsc.org
… α subunit; this enables flavin mononucleotide (FMN) to … docking and molecular dynamics
(MD) simulations were used to simulate the structure of the organic solvent–luciferase complex. …

[HTML][HTML] Identification of potential riboflavin synthase inhibitors by virtual screening and molecular dynamics simulation studies

SNAM Aris, MZA Rahman, RNZR Abd Rahman… - Journal of King Saud …, 2021 - Elsevier
… The top three docked complexes from the virtual screening … coenzymes flavin mononucleotide
(FMN) and flavin adenine … In this study, the combined strategies of molecular modelling, …