Vietnamese Medicinal Plant’s Essential Oil Shows Promise Against Gout Drivers in Lab and Computer Studies
An in vitro and in silico study of Homalomena occulta rhizome essential oil found inhibition of nitric oxide production and ...
Tag: molecular dynamics
Double Membranes Puncture Faster Under Electric Fields
Molecular dynamics simulations reveal that the double-membrane structure of the nuclear envelope undergoes faster electroporation than the single-membrane plasma membrane ...
Ebelin lactone from Bacopa shows strongest computational binding to neuritin and mortalin
A triterpenoid molecule derived from the memory herb Bacopa monnieri has been systematically profiled for the first time against a ...
Virtual screening yields two drug candidates that disable c-Myc in colorectal cancer
A multi-stage virtual screening campaign against the c-Myc/Max dimerization interface has identified two small molecules that suppress c-Myc protein, block ...
Simulations reveal atomic barriers in refractory alloy sintering
Molecular dynamics simulations indicate that multi-element interactions, stable interfaces and coupled chemical homogenization and densification constrain sintering in the AlNbTiVZr ...
Electrophysiology and molecular modeling pinpoint α7 receptor inhibition site
Laboratory electrophysiology, molecular simulations and mutational analysis identify an intersubunit transmembrane site through which polyunsaturated free fatty acids negatively modulate ...
Yak collagen peptides inhibit MMP-1 and extend worm lifespan
A computational and experimental study identified three yak bone collagen peptides that inhibited MMP-1 and extended the lifespan of Caenorhabditis ...
Supercomputer simulations reveal how kinesin steers its steps
All-atom simulations on the Fugaku supercomputer showed that contact between kinesin’s neck region and a microtubule biases the motor’s trailing ...
Computational screen identifies naringenin as a CXCR4-binding candidate
A multi-method computational screen identified naringenin as the strongest candidate for binding the human CXCR4 receptor, although laboratory and animal ...
An atlas reveals the hidden “physical code” in the DNA sequence
A molecular dynamics atlas of 2,080 DNA hexamers links base order to DNA behavior and shows a moderate evolutionary tendency ...
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Mothers who receive childcare support from maternal grandparents show more parental warmth, finds NTU Singapore study
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University of Seville Breaks 120-Year-Old Mystery, Revises a Key Einstein Concept
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Bee body mass, pathogens and local climate influence heat tolerance
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Researchers record first-ever images and data of a shark experiencing a boat strike
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Groundbreaking Clinical Trial Reveals Lubiprostone Enhances Kidney Function
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