Results 51 to 60 of about 15,493,907 (286)

‘Guide and Prejudice’— How Argonautes recognize targets across domains of life

FEBS Letters, EarlyView.
Argonaute proteins use short nucleic‐acid guides to locate and regulate specific targets across all domains of life. Despite striking diversity—from human gene silencing to bacterial immune defence—all Argonautes share a conserved three‐stage recognition logic: guide‐directed sampling, progressive target pairing with a conformational checkpoint and ...
Jack P. K. Bravo
wiley   +1 more source

Symbolic regression for the interpretation of quantitative structure-property relationships

Artificial Intelligence in the Life Sciences, 2022
The interpretation of quantitative structure–activity or structure–property relationships is important in the field of chemoinformatics. Although multivariate linear regression models are typically interpretable, they do not generally have high predictive abilities.
Katsushi Takaki, Tomoyuki Miyao
openaire   +2 more sources

Structural and biochemical analysis of a B12 superbinder

FEBS Letters, EarlyView.
BtuG proteins are vitamin B12 scavengers in Bacteroides thetaiotaomicron, a dominant human gut bacterium. We present crystal structures of three BtuG homologs bound to cobalamin and its precursor cobinamide, revealing picomolar binding affinities, among the highest known for any natural protein.
Jose M. Martinez Felices, Jacob J. Whittaker, Dirk J. Slotboom, Albert Guskov   +3 more
wiley   +1 more source

Quantitative Structure-Property Relationship Studies on Ostwald Solubility and Partition Coefficients of Organic Solutes in Ionic Liquids [PDF]

, 2008
Article discussing quantitative structure-property relationship studies on Ostwald solubility and partition coefficients of organic solutes in ionic ...
Katritzky, Alan R., Mati Karelson, Alan R. Katritzky, Dimitar A. Dobchev, Slavov, Svetoslav H., Svetoslav H. Slavov, Dobchev, Dimitar A., Stoyanova-Slavova, Iva B., Karelson, Mati, Iva B. Stoyanova-Slavova, Kuanar, Minati, Minati Kuanar, William E. Acree, Acree, William E. (William Eugene)   +13 more
core   +1 more source

A GNN-Based QSPR Model for Surfactant Properties

Colloids and Interfaces
Surfactants are among the most versatile molecules in the chemical industry because they can self-assemble in bulk solutions and at interfaces. Predicting the properties of surfactant solutions, such as their critical micelle concentration (CMC ...
Seokgyun Ham, Xin Wang, Hongwei Zhang, Brian Lattimer, Rui Qiao   +4 more
doaj   +1 more source

Chiral separation of chloroalkanes with the chromatographic column onboard Martian rovers

FEBS Letters, EarlyView.
Computer image of the Rosalind Franklin Rover of ESA's ExoMars mission. ExoMars is scheduled to land on planet Mars in Oxia Planum in 2029. This area represents an interesting spot to look for biosignatures. Investigations of ExoMars include measurement on molecular chirality. We show that chiral chloroalkanes, that have been identified on Mars, can be
Asma Merzougui, Agnes Banreti, Armelle L. Ernst, Guillaume Leseigneur, Uwe J. Meierhenrich   +4 more
wiley   +1 more source

Quantitative structure-property relationship (QSPR) study for the degradation of dye wastewater by Mo-Zn-Al-O catalyst

, 2016
Quantitative structure-property relationships (QSPR) between the structure of dyes and the discoloration rate of dyes were established to predict the discoloration rate of dyes in catalytic wet air oxidation (CWAO) process. The DFT-based quantum chemical
Zhu, Run-liang, Chen, Xiao-ying, Ge, Fei, Xu, Yin, Li, Yang   +4 more
core   +1 more source

Physicochemical and statistical characterization of gas-sensing behaviors of resonator sensors with carbonaceous films prepared by rf-sputtering of aromatic and hydrophilic biomolecules

Results in Chemistry, 2022
Quartz crystal resonators coated with gas-sorptive films were characterized by analyzing their structures and their organic gas-sorption behaviors, which were then studied using statistics and computational molecular simulations.
Iwao Sugimoto, Yoriko Suda, Kazuhiko Takahashi   +2 more
doaj   +1 more source

Leucine‐rich glioma inactivated 1 (LGI1) is a ganglioside‐binding protein

FEBS Letters, EarlyView.
Neuronal hyperexcitability associated with a decrease/absence of the extracellular protein LGI1 has been suggested to be primarily due to the downregulation of Kv1 channel expression. The molecular mechanisms underlying this decrease have not yet been elucidated.
Kévin Debreux, Christian Lévêque, Fodil Azzaz, Marion Sangiardi, Sarosh R Irani, Michael Seagar, Jacques Fantini, Oussama El Far   +7 more
wiley   +1 more source

Predictive modeling of visible-light azo-photoswitches’ properties using structural features

Journal of Cheminformatics
In this manuscript we present the strategy for modeling photoswitch properties (maximum absorption wavelength and thermal half-life of photoisomers) of visible-light azo-photoswitches using structural data.
Said Byadi, P. K. Hashim, Pavel Sidorov
doaj   +1 more source