Results 31 to 40 of about 1,147,751 (192)

Machine Learning of Molecular Electronic Properties in Chemical Compound Space [PDF]

, 2013
The combination of modern scientific computing with electronic structure theory can lead to an unprecedented amount of data amenable to intelligent data analysis for the identification of meaningful, novel, and predictive structure-property relationships.
Gobre, Vivekanand, Hansen, Katja, Montavon, Grégoire, Müller, Klaus-Robert, Rupp, Matthias, Tkatchenko, Alexandre, Vazquez-Mayagoitia, Alvaro, von Lilienfeld, O. Anatole   +7 more
core   +5 more sources

Combinatorial biomaterials discovery strategy to identify new macromolecular cryoprotectants [PDF]

, 2020
Cryoprotective agents (CPAs) are typically solvents or small molecules, but there is a need for innovative CPAs to reduce toxicity and increase cell yield, for the banking and transport of cells.
Gibson, Matthew I., Ishibe, Toru, Mathers, Robert T., Murray, Kathryn, Stubbs, Christopher D.   +4 more
core   +2 more sources

Mapping the evolution of mitochondrial complex I through structural variation

FEBS Letters, EarlyView.
Respiratory complex I (CI) is crucial for bioenergetic metabolism in many prokaryotes and eukaryotes. It is composed of a conserved set of core subunits and additional accessory subunits that vary depending on the organism. Here, we categorize CI subunits from available structures to map the evolution of CI across eukaryotes. Respiratory complex I (CI)
Dong‐Woo Shin, Tingting Chen, James A. Letts   +2 more
wiley   +1 more source

Uncovering structure-property relationships of materials by subgroup discovery

New Journal of Physics, 2017
Subgroup discovery (SGD) is presented here as a data-mining approach to help find interpretable local patterns, correlations, and descriptors of a target property in materials-science data.
Bryan R Goldsmith, Mario Boley, Jilles Vreeken, Matthias Scheffler, Luca M Ghiringhelli   +4 more
doaj   +1 more source

Polythiophene and oligothiophene systems modified by TTF electroactive units for organic electronics [PDF]

, 2015
The aim of this review is to give an update on current progress in the synthesis, properties and applications of thiophene-based conjugated systems bearing tetrathiafulvalene (TTF) units. We focus mostly on the synthesis of poly- and oligothiophenes with
Findlay, Neil J., Kanibolotsky, Alexander L., Skabara, Peter J.   +2 more
core   +2 more sources

Reciprocal control of viral infection and phosphoinositide dynamics

FEBS Letters, EarlyView.
Phosphoinositides, although scarce, regulate key cellular processes, including membrane dynamics and signaling. Viruses exploit these lipids to support their entry, replication, assembly, and egress. The central role of phosphoinositides in infection highlights phosphoinositide metabolism as a promising antiviral target.
Marie Déborah Bancilhon, Bruno Mesmin
wiley   +1 more source

Synthesis, liquid crystalline behaviour and structure–property relationships of 1,3-bis(5-substituted-1,3,4-oxadiazol-2-yl)benzenes

Beilstein Journal of Organic Chemistry, 2020
Two series containing 1,3-bis(1,3,4-oxadiazol-2-yl)benzene as a rigid core (RC) and alkyl or perfluoroalkyl as terminal chains were synthesized and characterized. Liquid crystal properties of the synthesized compounds have been investigated by polarizing
Afef Mabrouki, Malek Fouzai, Armand Soldera, Abdelkader Kriaa, Ahmed Hedhli   +4 more
doaj   +1 more source

Cell wall target fragment discovery using a low‐cost, minimal fragment library

FEBS Letters, EarlyView.
LoCoFrag100 is a fragment library made up of 100 different compounds. Similarity between the fragments is minimized and 10 different fragments are mixed into a single cocktail, which is soaked to protein crystals. These crystals are analysed by X‐ray crystallography, revealing the binding modes of the bound fragment ligands.
Kaizhou Yan, Mathew Stanley, Olawale Raimi, Andrew T. Ferenbach, Helge C Dorfmueller, Daan M. F. van Aalten   +5 more
wiley   +1 more source

The planar cell polarity protein Vangl2 interacts with the PDZ‐domains of Scribble but not with a unique PDZ‐like domain in Inturned

FEBS Letters, EarlyView.
Structural and biochemical characterisations show that the planar cell polarity (PCP) protein Inturned harbours a unique PDZ‐like domain that does not bind canonical PDZ‐binding motifs (PBMs) like that of another PCP protein Vangl2. In contrast, the apical‐basal polarity protein Scribble contains four PDZ domains that bind Vangl2, but one PDZ domain ...
Stephan Wilmes, Jan Brysch, Carmen Gelze, Lilli Meier, Daniel Kümmel   +4 more
wiley   +1 more source

9-Vinylanthracene Based Fluorogens: Synthesis, Structure-Property Relationships and Applications

Molecules, 2017
Fluorescent dyes with aggregation-induced emission (AIE) properties exhibit intensified emission upon aggregation. They are promising candidates to study biomolecules and cellular changes in aqueous environments when aggregation formation occurs.
Mengjie Liu, Sawaros Onchaiya, Lewis Yi Fong Tan, Mohammad A. Haghighatbin, Tracey Luu, Tze Cin Owyong, Roozbeh Hushiarian, Conor F. Hogan, Trevor A. Smith, Yuning Hong   +9 more
doaj   +1 more source