Results 161 to 170 of about 455,903 (307)

Combining Molecular Docking and Graph Convolutional Network to Discover Potential Selective Limk1 Inhibitors [PDF]

, 2021
Weihe Zhong, Lu Zhao, Calvin Yu‐Chian Chen   +2 more
openalex   +1 more source

Optimizing photoactivation of PA‐mCherry for optical pooled CRISPR screens

FEBS Open Bio, EarlyView.
Photoactivatable PA‐mCherry finds widespread use to optically tag individual cells. However, confocal 405 nm UV laser‐scanning (normal scan) is much less efficient than widefield UV illumination, limiting the use of PA‐mCherry on confocal instruments. We remedy this limitation by reporting that rapid and repeated confocal scanning with a low‐intensity,
Sravasti Mukherjee, Giulia Zanetti, Bram van den Broek, Kees Jalink   +3 more
wiley   +1 more source

KGE-UNIT: Towards the unification of molecular interactions prediction based on knowledge graph and multi-task learning on drug discovery

, 2023
Zhangchengcheng
openalex   +1 more source

Refinement of amino‐acid conformation vs. difference density maps in time‐resolved serial femtosecond crystallography data analysis

FEBS Open Bio, EarlyView.
The dFoCC pipeline starts with observed DED and resting‐state coordinates, which are then used to generate a library of triggered states. Correlation analysis of the calculated DED features of each candidate vs observed DED permits quantitative evaluation of candidate structural quality.
Meng Iao Fong, Yuhei Hosokawa, Lars Oliver Essen, Manuel Maestre‐Reyna   +3 more
wiley   +1 more source

A Machine Learning Quest to Design Molecular Graph Fingerprints of Organic Chromophores for Adjusting Photoluminescent Quantum Yields. [PDF]

ACS Omega
Aljaafreh MJ, Sumrra SH, Noreen S.
europepmc   +1 more source

A dual graph neural network for drug–drug interactions prediction based on molecular structure and interactions

, 2023
Mei Ma, Xiujuan Lei
openalex   +2 more sources

Time‐restricted feeding prior to Mycobacterium tuberculosis infection reduces tissue CD4+ T cells with limited impact on bacterial clearance

FEBS Open Bio, EarlyView.
Time‐restricted feeding (TRF) in mice increased liver fatty acid oxidation and decreased fatty acid biosynthesis. These alterations persisted when TRF was discontinued and the host was infected with Mycobacterium tuberculosis. Pre‐exposure to TRF did not alter tissue (lung and spleen) mycobacterial burden but significantly reduced CD3+ T cells in lungs
Ashish Gupta, Nidhi Yadav, Subhasmita Das, R. Rajendra Kumar Reddy, Nupur Sharma, Amol Ratnakar Suryawanshi, Jaswinder Singh Maras, Ranjan Kumar Nanda   +7 more
wiley   +1 more source

Molecular graph-based invariant representation learning with environmental inference and subgraph generation for out-of-distribution generalization. [PDF]

J Cheminform
Zhu H, Yuan S, Tang M, Zhou G, Hu Z, Liu Z, Li J, Wang J, Li C.   +8 more
europepmc   +1 more source

Node-feature sets for building molecular graphs.

Debby D. Wang (17731437), Yuting Huang (1335915)   +1 more
openalex   +1 more source

Cyclic azapeptide CD36 ligand attenuates cardiac injury and reduces long‐chain fatty acid accumulation after myocardial ischemia–reperfusion in mice

FEBS Open Bio, EarlyView.
In a murine model of myocardial ischemia and reperfusion (MI/R), the CD36 azapeptide ligand MPE‐298 reduces cardiac injury and transiently lowers left ventricular long‐chain fatty acids (LCFAs) accumulation 3 h after reperfusion, accompanied by a decrease of oxidative stress and inflammation‐associated genes' expression in the heart and adipose tissue.
Jade Gauvin, Naghme Radmannia, David N. Huynh, Liliane Ménard, Caroline Daneault, Maïté Veilleux, Ahsanullah Ahsanullah, André C. Carpentier, William D. Lubell, Matthieu Ruiz, Huy Ong, Sylvie Marleau, Simon‐Pierre Gravel   +12 more
wiley   +1 more source