Results 81 to 90 of about 4,488,130 (223)

The impact of conformer quality on learned representations of molecular conformer ensembles [PDF]

arXiv
Training machine learning models to predict properties of molecular conformer ensembles is an increasingly popular strategy to accelerate the conformational analysis of drug-like small molecules, reactive organic substrates, and homogeneous catalysts.
arxiv  

Molecular Conformation of 4- and 5-Hydroxypipecolic Acids. [PDF]

, 1962
James Ν. Shoolery, Artturi I. Virtanen, Leo Mandell, Ingvar Danielsson, Olof Theander, H. Flood   +5 more
openalex   +1 more source

Different molecular conformation and packing determining mechanochromism and room-temperature phosphorescence

Science China Materials, 2021
Shuhui Li, Yujun Xie, Aisen Li, Xiaoning Li, Weilong Che, Jinfeng Wang, Heping Shi, Zhen Li   +7 more
semanticscholar   +1 more source

Rapid Conformational Analysis of Semi-Flexible Liquid Crystals [PDF]

We present an approach for rapid conformational analysis of semi-flexible liquid crystals. We use a simple graphical user interface (GUI) tool that leverages rules-based methods for efficient generation of bend-angle distributions, offering a significant improvement over traditional single-conformer analysis.
arxiv   +1 more source

The molecular conformation of Tetramethylcyclobutane-1,3-dione [PDF]

, 1965
C Chen, RJW Le Fevre
openalex   +1 more source

The Effect of Extraction Conditions and Film Side on the Molecular Conformation of Silk Sericin Film

, 2013
Silk sericin, Extraction method, Molecular conformation, Film side, Crystallinity index In this study, silk sericin films were prepared using different extraction methods, and the molecular conformation of sericin was examined using Fourier-transform ...
Y. Jo, D. Bae, I. Um
semanticscholar   +1 more source

Water Soluble Antioxidative Crude Polysaccharide From Russula senecis Elicits TLR Modulated NF-κB Signaling Pathway and Pro-inflammatory Response in Murine Macrophages

Frontiers in Pharmacology, 2018
Russula senecis has recently been reported as a new addition to macrofungal flora of West Bengal. Besides, it also emerged as a seasonal health promoting nutrient to local ethnic people and enlisted for the first time as tribal food in our previous ...
Somanjana Khatua, Krishnendu Acharya
doaj   +1 more source

RELATIONSHIP BETWEEN THE MOLECULAR CONFORMATION OF CHOLINE ARYL ETHERS AND NICOTINE‐LIKE STIMULANT ACTIVITY [PDF]

, 1968
E. R. Clark, P. M. Dawes, Steven G. Williams   +2 more
openalex   +1 more source

Reinvestigation of the crystal structure of N-(4-chlorobenzylidene)-2-hydroxyaniline: a three-dimensional structure containing O—H...N, O—H...O and C—H...π(arene) hydrogen bonds

Acta Crystallographica Section E: Crystallographic Communications, 2018
The molecule of the title compound, C13H10ClNO, (I), which contains an intramolecular O—H...N hydrogen bond, is almost planar: the dihedral angle between the two aryl rings is only 3.31 (9)°.
Marisiddaiah Girisha, Hemmige S. Yathirajan, Ravindranath S. Rathore, Christopher Glidewell   +3 more
doaj   +1 more source

The determination of the molecular weight of ribonucleic acid by polyacrylamide-gel electrophoresis. The effects of changes in conformation [PDF]

, 1969
Ulrich E. Loening
openalex   +1 more source