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Beyond templates: advancing protein–protein interaction structure prediction with AI
Dr Alan Nafiiev evaluates template-based, docking and template-free approaches to PPI prediction, highlighting how AI can enhance structural accuracy.
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Molecular Modelling
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New class of chiral molecules offers strong stability for drug development
Scientists have created a new class of ultra-stable chiral molecules – a discovery that could lead to more precise drug design by preventing potentially harmful molecular “flipping” over time
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Bird flu is changing – AI might help us keep up
Researchers at the University of North Carolina at Charlotte have used artificial intelligence to look at how the H5N1 bird flu virus is evolving to evade the immune system - insights that could make way for development of effective future therapies.
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New nanoparticle enhances cancer drug penetration
Researchers at Southern Medical University have developed a self-propelled ferroptosis nanoinducer that penetrates deeper into tumour tissues - offering a new strategy for safer and more effective cancer treatment.
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Key enzyme discovery marks a step forward in Alzheimer’s treatment
Scientists have decoded the 3D structure of a key enzyme linked to Alzheimer's disease. This breakthrough opens up new possibilities for targeted drug development and better treatment options.
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Human Brain Project study offers insights into neurotransmitter receptor organisation
Researchers from the Human Brain Project (HBP) and collaborating institutions have made significant strides in understanding the distribution of receptors in the brain. Through a comprehensive mapping study, they discovered two distinct gradients of receptor expression per neuron in the cortex, shedding light on its organisation and functionality.
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Powerful computer modelling approach developed to simulate cells
A study has proposed a new technique for modelling living cells at atomic resolution, which could be used to research human health.
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Right model, right complexity: using in vitro human disease cell models in drug discovery
Ensuring that drug candidates can reach the clinic is no easy task, so having models that can closely represent human pathology is crucial. Here, Dr Beth Hoffman, CEO of Origami Therapeutics, describes the successes and challenges of using human disease cell models in drug discovery.
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Scientists have identified novel molecular biomarkers in cells that spread triple-negative breast cancer
The researchers identified key molecular differences between triple-negative breast cancer cells that cling to an initial tumour and those that venture off to form distant tumours.
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Key protein identified that helps turn pancreatic cancer cells into a more aggressive form
A new study has shown that it is possible to reverse key process that allows pancreatic cancer cells to grow and spread around the body.
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Cell survival mechanisms identified through RNA regulation in central nervous system
A new study from Niigata University has found a binding protein that is vital for proper development of the central nervous system.
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Study identifies key regulator of cell differentiation
Long-awaited findings about cell differentiation will be relevant in understanding normal development and may also be useful in cancer research.
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Successful liver model developed for research into UCD
Urea cycle disorders affect the liver’s ability to excrete urea from the body. To test potential therapeutics requires an accurate model – a hurdle that has now been successfully navigated thanks to a team of researchers in Switzerland.
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Model insight into blood enzyme Lp-PLA2 could aid cardiovascular health
A new study in the US has used a computer model to reveal the mechanism of action of lipoprotein-associated phospholipase A2 – a biomarker for cardiovascular disease.
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Scientists create first patient-specific zebrafish model for ACM
Researchers developed a patient-specific zebrafish model for arrhythmogenic cardiomyopathy (ACM) and tested istaroxime as a potential therapeutic.
