Zobrazeno 1 - 10
of 11 619
pro vyhledávání: '"QM"'
Publikováno v:
IUCrJ, Vol 11, Iss 6, Pp 921-937 (2024)
X-ray and neutron crystallography, as well as cryogenic electron microscopy (cryo-EM), are the most common methods to obtain atomic structures of biological macromolecules. A feature they all have in common is that, at typical resolutions, the experi
Externí odkaz:
https://doaj.org/article/ed3d84f15d0d493d96cc34cddfc9f408
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-10 (2024)
Abstract Green fluorescent protein (GFP) is widely utilized as a fluorescent tag in biochemical fields. Whereas the intermediate (I) state has been proposed in the photoreaction cycle in addition to the A and B states, until now the structure of I ha
Externí odkaz:
https://doaj.org/article/ec435b84b63e4309aadcf20f8b830d1a
Autor:
Xiao Yan, Chuanhua Qu, Qin Li, Lei Zhu, Henry H.Y. Tong, Huanxiang Liu, Qin Ouyang, Xiaojun Yao
Publikováno v:
Computational and Structural Biotechnology Journal, Vol 23, Iss , Pp 1408-1417 (2024)
Utilizing α,β-unsaturated carbonyl group as Michael acceptors to react with thiols represents a successful strategy for developing KRASG12C inhibitors. Despite this, the precise reaction mechanism between KRASG12C and covalent inhibitors remains a
Externí odkaz:
https://doaj.org/article/37ebd4bb93a74816a7cf0dcc4082dd13
Autor:
Dhanushan Wijayaratna, Filippo Sacchetta, Laura Pedraza-González, Francesca Fanelli, Tomohiro Sugihara, Mitsumasa Koyanagi, Senuri Piyawardana, Kiran Ghotra, Waruna Thotamune, Akihisa Terakita, Massimo Olivucci, Ajith Karunarathne
Publikováno v:
Cell Communication and Signaling, Vol 22, Iss 1, Pp 1-22 (2024)
Abstract Melanopsin is a photopigment belonging to the G Protein-Coupled Receptor (GPCR) family expressed in a subset of intrinsically photosensitive retinal ganglion cells (ipRGCs) and responsible for a variety of processes. The bistability and, thu
Externí odkaz:
https://doaj.org/article/a11bd4c5199c4714b627227aa9408a93
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-13 (2024)
Abstract This study investigates the application of quantum mechanical (QM) and multiscale computational methods in understanding the reaction mechanisms and kinetics of SN2 reactions involving methyl iodide with NH2OH and NH2O−, as well as the Cla
Externí odkaz:
https://doaj.org/article/d4591b0a08ad4d85a2171cda3f11babf
Publikováno v:
Bioresources and Bioprocessing, Vol 11, Iss 1, Pp 1-13 (2024)
Abstract Formate oxidase (FOx), which contains 8-formyl flavin adenine dinucleotide (FAD), exhibits a distinct advantage in utilizing ambient oxygen molecules for the oxidation of formic acid compared to other glucose-methanol-choline (GMC) oxidoredu
Externí odkaz:
https://doaj.org/article/bfaf9799dadd44e1b0410edf019d8883
Autor:
Dongxiao Yue, Hajime Hirao
Publikováno v:
Frontiers in Chemistry, Vol 12 (2024)
Previous theoretical studies have revealed that high-spin states possess flatter potential energy surfaces than low-spin states in reactions involving iron(IV)-oxo species of cytochrome P450 enzymes (P450s), nonheme enzymes, or biomimetic complexes.
Externí odkaz:
https://doaj.org/article/1d8e660aa83946a9a8a90db729365f7d
Publikováno v:
Nuclear Physics B, Vol 1006, Iss , Pp 116626- (2024)
We have investigated a weakly q-deformed algebra, which leads to non-Hermitian operators. It has been explicitly shown that the harmonic oscillator Hamiltonian is quasi-Hermitian, and that the corresponding physical Hilbert-space metric Θ differs fr
Externí odkaz:
https://doaj.org/article/96c3606bfb6e42c281d1ec114a25219d
Akademický článek
Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.
K zobrazení výsledku je třeba se přihlásit.
Akademický článek
Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.
K zobrazení výsledku je třeba se přihlásit.