News
AI research tools benefit individual scientists but may slow scientific progress
2+ hour, 41+ min ago (691+ words) An analysis of over 41 million research papers from the past 40 years has revealed that researchers who use artificial intelligence (AI) tools in their work publish more papers and receive more citations. However, using these tools may narrow academics research to…...
AI tool dramatically reduces computing power needed to find protein-binding molecules
1+ week, 2+ day ago (449+ words) New protocol is up to 10 million times faster than current docking-based methods AI tool dramatically reduces computing power needed to find protein-binding molecules - Share this on Facebook Share this on X (Twitter) Share this on LinkedIn Share this on Bluesky…...
Total synthesis evolution: from structure confirmation to efficient drug discovery routes
2+ week, 4+ day ago (406+ words) From structure confirmation to methodology improvements, making complex natural products has driven innovation in organic synthesis for decades. Nina Notman looks at its current state, with threats from funding to academic pressures This summary was generated by AI and checked…...
AI agents democratise computational chemistry - new platforms make quantum calculations accessible to all
2+ week, 6+ day ago (1727+ words) Large language models are powering a new generation of AI agents that could transform computational chemistry from a specialist discipline into one any researcher can use, reports Julia Robinson Computational chemistry is entering a new era. The rise of large…...
AI flexes its protein design muscles for harsh environments
1+ mon, 1+ week ago (291+ words) Researchers have used AI as a "creative architect" to design muscle-inspired proteins that are stronger and more thermally stable than their natural counterparts. The approach could enable the design of superstable synthetic proteins that can survive in extreme environments where…...
Learning computational chemistry in a new role
1+ mon, 1+ week ago (324+ words) A change of team brings new opportunities to build knowledge The more opportunities we take to study, the better we understand the learning strategies that are most effective for us" The downside is that I have no time to do…...
Inorganic homologous series forms solids with predictable structures
1+ mon, 1+ week ago (522+ words) Newly uncovered structure-composition relationship could help to improve AI's ability to predict new inorganic materials Inorganic homologous series forms solids with predictable structures - Share this on Facebook Share this on X (Twitter) Share this on LinkedIn Share this on Bluesky…...
Crystal structure prediction reaches new heights with axitinib
1+ mon, 2+ week ago (258+ words) Axitinib is a targeted anti-cancer medication commonly prescribed to patients with advanced renal cell carcinoma after other systemic treatments. It works as a tyrosine kinase inhibitor, blocking vascular endothelial growth factor receptors that drive tumour growth and metastasis. "It was…...
Protein design takes big leap forward as model produces enzymes almost as effective as nature’s
1+ mon, 2+ week ago (354+ words) A new iteration of the protein design model RoseTTAFold Diffusion, developed in the lab of 2024 Nobel prize-winner David Baker, has created blueprints for functional enzymes from scratch.1 The crystal structure of one of the designed enzymes closely resembles that produced'by…...
AI continues to make waves and structural editing impresses in 2025
1+ mon, 2+ week ago (1082+ words) Understanding the chemistry on worlds beyond our own planet holds the potential to answer some of the biggest questions about the origins of life, the universe and everything. And in 2025 some spectacular experiments offered fascinating new insights. The Osiris-Rex mission…...