All Computational Techniques articles – Page 3
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NewsNew framework enhances reliability of virtual cell models
Shift Bioscience have announced new research revealing that AI-driven virtual cell models perform far better than previously thought when assessed with correctly calibrated metrics.
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NewsScientists use AI to create antibodies entirely from scratch
Scientists at the University of Washington’s Institute for Protein Design have used artificial intelligence to create antibodies entirely from scratch, a breakthrough that could reshape drug discovery.
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NewsZuckerberg's Biohub announces AI-powered biology to accelerate drug discovery
The initiative combines cutting-edge artificial intelligence with large-scale biological data, with the aim to transform how new treatments, drugs and therapies are developed.
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NewsAlzheimer’s may disrupt fat tissue and raise metabolic disease risk
Researchers have discovered that Alzheimer’s may disrupt communication between nerves and blood vessels in fat tissue which could explain why people with Alzheimer’s are often diagnosed with heart disease and metabolic problems.
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NewsRNA folding: new model could change future drug design
A Japanese research team has simulated how RNA molecules fold, using cutting-edge computational tools to model complex structures with accuracy – a breakthrough that could accelerate the development of RNA-based medicines and therapies.
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NewsHow AI and cell data combine to make drug discovery faster
Cellarity has published a new paper in detailing an AI-powered framework that integrates single-cell transcriptomics to make drug discovery faster and more successful.
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ArticleHow real-world data is accelerating drug discovery
Vish Srivastava considers the benefits of expanding the role of real-world data in drug discovery to provide improved therapies, faster and with greater success.
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ArticleChemistry-aware AI offers new routes in small molecule design
AI has advanced molecule design, yet synthetic feasibility remains a bottleneck. Chemistry-first approaches offer a practical way forward.
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NewsCloneSeq-SV: new blood test tracks ovarian cancer recurrence
Researchers have developed a new blood test method, CloneSeq-SV, that tracks treatment-resistant ovarian cancer cells over time. The approach could help predict recurrence and guide targeted therapies.
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ArticleBeyond 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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ArticleFrom data to therapy: emerging tech driving cancer drug discovery
Multiomics, AI and liquid biopsies are giving researchers real-time insight into tumour biology and enabling more personalised cancer therapies. Find out how these technologies are advancing biomarker discovery, improving patient stratification, and guiding the design of new treatments.
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ArticleInside Zasocitinib: a new model for TYK2 inhibition in immune-mediated diseases
Zasocitinib is a highly selective, investigational TYK2 inhibitor developed to target immune-mediated diseases with fewer off-target effects than traditional JAK inhibitors. This article explores its mechanism, selectivity data and clinical progress.
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ArticleThe science behind the systematic discovery of molecular glues
For decades, molecular glues have been stumbled upon rather than designed. A new scientific approach is now changing that – expanding what is considered druggable.
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ArticleMaking sense of AI: bias, trust and transparency in pharma R&D
AI is increasingly used in drug discovery, but hidden bias and ‘black box’ models threaten trust and transparency. This article explores how explainable AI can turn opaque predictions into clear, accountable insights.
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NewsAI designs new antibiotics to take on drug-resistant superbugs
Penn engineers have built an AI model that creates new antibiotics – and early tests show some work as well as existing approved drugs.
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ArticleAnimal-free drug discovery is closer with QSP
Quantitative Systems Pharmacology (QSP) is fast becoming a standard tool in drug development, offering a human-relevant way to predict drug effects before the clinic. Dr Josh Apgar of Certara explains how it is helping to cut reliance on animal testing and speed discovery.
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ArticleBeyond the hype: a veteran’s honest assessment of AI in drug discovery – Part 3
AI is starting to transform drug discovery, but progress is still slow and big challenges remain. Thibault Géoui explores the gaps, hurdles and breakthroughs needed before it can truly change pharma R&D.
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ArticleBeyond the hype: a veteran's honest assessment of AI in drug discovery - Part 2
Thibault Géoui explains why AI could finally help pharma overcome its productivity crisis and why the payoff won’t come as quickly as the optimists claim.
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NewsStriosomes may hold the key to better treatments for mental disorders
Scientists have developed a new computational model that reveals how the striosomal compartment of the brain’s striatum influences decision-making – which could lead to improved therapies for psychiatric disorders.
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ArticleHow AI is quietly changing drug manufacturability
AI is moving beyond drug design to answer a critical question: can a promising compound actually be manufactured at scale? By predicting synthetic feasibility early, machine learning tools are helping drug developers avoid costly failures, streamline R&D and design molecules that are both effective and practical to produce.