Results 141 to 150 of about 59,986 (298)

Study on Coupling Relationships Among Target Parameters for Multi-Component Biodiesel Surrogate Fuels

Energies
Real biodiesel contains numerous components with complex molecular structures, and thus a representative surrogate fuel is required to develop tractable chemical kinetic mechanisms for biodiesel combustion.
Bohui Zhao, Yijun Heng, Pan Chen, Junjie Liang, Neng Zhu   +4 more
doaj   +1 more source

Molecular Descriptors Property Prediction Using Transformer-Based Approach. [PDF]

Int J Mol Sci, 2023
Tran T, Ekenna C.
europepmc   +1 more source

On the Relationship between Molecular Hit Rates in High-Throughput Screening and Molecular Descriptors

, 2014
W High-throughput screening (HTS) is widely used in the pharmaceutical industry to identify novel chemical starting points for drug discovery projects.
Pemberton, John, Engkvist, Ola, Zander-Balderud, Linda, Hansson, Mari,, Jarvis, Philip, Brive, Lars, Chen, Hongming, Feierberg, Isabella   +7 more
core   +1 more source

The ubiquitin‐proteasome system and autophagy as guardians of the cellular proteome

FEBS Letters, EarlyView.
This Perspective covers the three principles governing the crosstalk between the ubiquitin‐proteasome system and autophagy in cellular proteostasis: (1) a shared ubiquitin code routing substrates via shuttle factors or autophagy receptors; (2) spatial compartmentalization into phase‐separated degradation hubs and organelle‐specific modules (exemplified
Ivan Dikic
wiley   +1 more source

Molecular Descriptors, Structure Generation, and Inverse QSAR/QSPR Based on SELFIES. [PDF]

ACS Omega, 2023
Kaneko H.
europepmc   +1 more source

Estimation of Heat Capacity of Ionic Liquids Using S sigma-profile Molecular Descriptors

, 2015
In order to estimate the heat capacity of ionic liquids (ILs), statistical models have been proposed using the quantum-chemical based charge distribution area (S sigma-profile) as the molecular descriptors for two different mathematical algorithms ...
Zhang, Xiangping, Zhao, Yongsheng, Raja Muhammad Afzal (1449784), Shaojuan Zeng (1365342), Ying Huang (53474), Yongsheng Zhao (1427761), Huang, Ying, Zeng, Shaojuan, Afzal, Raja Muhammad, Xiangping Zhang (1365345)   +9 more
core   +1 more source

An unexpected alternative viologen electron mediator site in tungsten‐containing formate dehydrogenase

FEBS Letters, EarlyView.
An unexpected alternative interaction site for ethyl viologen was identified in formate dehydrogenase 1 from Methylorubrum extorquens. Combined mutagenesis, kinetic analysis, and docking revealed that aromatic residues near an iron–sulfur cluster enable flavin mononucleotide‐independent electron transfer, offering a framework for engineering improved ...
Eleni G. Poloniataki, Yong Hwan Kim
wiley   +1 more source

Mathematical analysis and molecular descriptors of two novel metal-organic models with chemical applications. [PDF]

Sci Rep, 2023
Zaman S, Jalani M, Ullah A, Ahmad W, Saeedi G.   +4 more
europepmc   +1 more source

Índice semi-empírico eletrotopológico: um novo descritor molecular usado em estudos de correlação quantitativa entre estrutura e retenção cromatográfica para compostos de interesse [PDF]

, 2009
Tese (doutorado) - Universidade Federal de Santa Catarina, Centro de Ciências Físicas e Matemáticas, Programa de Pós-Graduação em Química, Florianópolis, 2009.Neste trabalho, um novo índice topológico é proposto, baseado na observação de que a retenção ...
Souza, Érica Silva
core  

Ubiquitination of secretory granules promotes their crinophagic degradation in Drosophila

FEBS Letters, EarlyView.
Ubiquitination of secretory granules in Drosophila larval salivary glands is a critical molecular trigger for crinophagy, the lysosomal degradation of unreleased, or low‐quality granules. The E3 ubiquitin ligase Cnot4 is recruited to the surface of secretory granules to induce crinophagy.
Tamás Csizmadia, Anna Dósa, Asha Kiran Maddali, András Jipa, Hajnalka Laczkó‐Dobos, Péter Lőw, Gábor Juhász   +6 more
wiley   +1 more source