When Schrödinger launched more than 30 years ago, computational biology was a nascent technology. Schrödinger, a pioneer in the field, relied heavily on the Protein Data Bank (PDB), a collection of solved protein structures that got its start in the 1970s. “Getting a structure in the lab used to be—and still is—difficult,” says Karen Akinsanya, Schrödinger’s president of therapeutics R&D. Back then, a single protein structure would potentially comprise a person’s entire PhD or postdoctoral research, taking “years of work,” she says. The entire field of structure-based drug design took a giant leap forward with the advent of #AlphaFold, the protein prediction software that launched in 2020 and this week became a Nobel Prize–winning technology. AlphaFold, which is owned by Google’s DeepMind, built on the PDB and other protein sequence databases, has used a neural network to predict the structures of now millions of proteins. Schrödinger and its ilk use AlphaFold to help dream up drug candidates with a higher degree of specificity than what was previously possible. Akinsanya says her team is using a better understanding of how proteins fold to design, for instance, small molecules that change how those proteins interact with each other. Recently, a Schrödinger team used structure predictions of a protein encoded by the human ether-à-go-go–related—or hERG—gene, to see how 14 compounds would bind with it, then design drugs that would avoid the protein since inhibiting it can elicit severe cardiotoxic side effects (Cell 2024, DOI: 10.1016/j.cell.2023.12.034). “It’s accelerating the work of humans. There’s no doubt about that,” Akinsanya says of AlphaFold. “We are in the century of the protein.” It’s also the century of the algorithm. More in C&EN: https://lnkd.in/eBXX_D9U
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AI is changing the world and even the Noble Prize recognizes this. The noble prize in chemistry has been awarded to CEO of Google DeepMind Demis Hassabis and Google DeepMind director John Jumper for their work on Alpha fold, an AI model that can predict protein structures. Alpha fold is considered the "Biggest achievement of AI to date in Biology". Why?AlphaFold 2 predicted the structures for nearly ALL proteins known to science (200 MILLION). Predicting the 3D structure of proteins from their amino acid sequence has been a long-standing problem in biology. Previously, this process required laborious experimental methods. It would take longer than the age of the known universe to enumerate all possible configurations of a typical protein by brute force calculation – Levinthal estimated 10^300 possible conformations for a typical protein. Yet in nature, proteins fold spontaneously, some within milliseconds – a dichotomy sometimes referred to as Levinthal’s paradox. AlphaFold was the first AI-enabled solution to crack this and unlocked a new chapter in biochemistry. AlphaFold 2’s deep learning model revolutionized this and has been used by more than 2 million researchers worldwide, accelerating scientific discovery in important areas like vaccine design, cancer treatments, and more. In case you want to understand how Alpha fold works. https://lnkd.in/d-cUJ_3j #Alphafold #AI #ML #NoblePrize
Demis Hassabis & John Jumper awarded Nobel Prize in Chemistry
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🌟 Exciting Advances at the Intersection of AI, Biology, and Chemistry 🌟 In a groundbreaking study by MIT researchers, the future of biology and chemistry is being reshaped through a novel computational technique that simplifies the engineering of proteins. This innovation has the potential to revolutionize fields from neuroscience to gene therapy, by enabling the rapid development of proteins with enhanced functions. As we stand on the brink of a new era where AI-driven discoveries promise to transform our understanding and interaction with the natural world, the importance of foundational education in these technologies cannot be overstated. At Camp Integem, we're committed to preparing the next generation to navigate and contribute to this exciting future. Our programs in AI, holographic AR, coding, robotics engineering, art, and design, offer K-12 students a unique opportunity to explore the frontiers of science and technology. The collaboration between computational scientists and biologists exemplifies the interdisciplinary approach necessary for the advancements ahead. It’s a thrilling time to be at the intersection of these fields, and an even more exciting time to inspire young minds to embark on this journey of discovery. #AI #Biology #Chemistry #Innovation #STEMEducation #CampIntegem #FutureLeaders https://lnkd.in/git-YwiP
The Future of Biology and Chemistry: Harnessing AI for Revolutionary Advances
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Transforming Biomedical Research! #Boltz-1, a groundbreaking open-source AI model developed by the MIT Jameel Clinic team, is here to revolutionize the prediction of complex 3D protein structures. With state-of-the-art accuracy, it’s set to accelerate drug discovery and biomedical research globally. Learn how this innovation is democratizing access to cutting-edge structural biology tools: https://lnkd.in/dh3e9m3j #AI #HealthcareInnovation #MITJameelClinic #MIT #JameelHealth
MIT researchers introduce Boltz-1, a fully open-source model for predicting biomolecular structures
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New research has recently been pre-published, showing the use of AI models in developing a COVID-19 treatment. In this study, researchers created a "virtual lab" where Large Language Models acted as AI scientists with specialised expertise, such as immunology, computational biology, and machine learning. These AI scientists worked collaboratively under the supervision of a human researcher. The virtual lab worked as a collaborative team, with AI scientists holding meetings to discuss, refine, and execute a research plan aimed at developing nanobodies to target COVID-19. Using advanced computational methods, the AI scientists successfully generated a set of new nanobodies against various COVID-19 variants. Human researchers then validated these findings through experimental testing. This study highlights the potential for AI to assist in complex, interdisciplinary research. However, as AI models rely on computational simulations, they may not fully capture real-world biological complexities. Experimental validation remains essential, as unexpected biological behaviours can arise, underscoring the limitations of purely computational drug development.
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🔬 From Fundamental Discoveries to AI-Driven Innovation: How Nobel-Winning Research Transformed Biophysics and Biochemistry 🌟 The evolution of biophysics and biochemistry has been remarkable, moving from groundbreaking discoveries to the cutting-edge application of Artificial Intelligence (AI)! This journey is exemplified by several Nobel Prizes that highlight the fusion of foundational concepts with AI-enhanced research. 1953: Hermann Staudinger won the Nobel Prize for macromolecular chemistry, laying the groundwork for understanding biomolecules like proteins and DNA. 🧬 1962: Francis Crick, James Watson, and Maurice Wilkins unveiled the structure of DNA, opening the door for AI in biomolecular studies. 🔍 1997: Paul D. Boyer, John E. Walker, and Jens C. Skou were honored for their work on ATP synthesis, paving the way for AI-enhanced modeling of molecular machines. ⚙️ AI's impact has accelerated further: 2017: Jacques Dubochet, Joachim Frank, and Richard Henderson revolutionized structural biology with cryo-electron microscopy, with AI improving data processing. ❄️ 2020: Emmanuelle Charpentier and Jennifer Doudna's CRISPR-Cas9 breakthrough has been optimized by AI for gene editing. ✂️ 2023: Katalin Karikó and Drew Weissman advanced mRNA technology, which AI now enhances for stability and efficacy. 💉 The 2024 Nobel Prizes further showcase AI's influence, with John J. Hopfield and Geoffrey E. Hinton recognized for their contributions to artificial neural networks—foundational to modern AI systems! 🧠 As we embrace an AI-driven era, scientists must focus on continuous learning, interdisciplinary collaboration, data literacy, and ethical AI use to lead the next wave of scientific breakthroughs! 🌊 #AI #Biophysics #Biochemistry #Innovation #Research #Science 🚀
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2024 Nobel Prize in Chemistry Awarded for AI Breakthrough in Protein Structure Prediction The groundbreaking work of David Baker, Demis Hassabis, and John Jumper has the potential to revolutionize our understanding of biology and medicine. By leveraging artificial intelligence, they have unlocked insights into protein folding and function, paving the way for innovations in drug design and disease treatment. The Nobel Committee highlighted the significance of their achievements, noting that this research could lead to the development of new therapies for various illnesses, including cancer and neurodegenerative diseases. As the scientific community celebrates this milestone, the collaboration between traditional biochemistry and cutting-edge technology exemplifies the future of scientific discovery. https://lnkd.in/emKbTRD5
Scientists who used AI to ‘crack the code’ of almost all proteins win Nobel Prize in chemistry | CNN
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Alphafold 3 – The Next Leap in AI-Assisted Biology 🚀🧬 Prepare to be amazed by the groundbreaking advancements in AI-assisted biology with Alphafold 3! At Oikos AI Company, we’re excited to share how this cutting-edge technology is revolutionizing the field of biological research and molecular biology. Alphafold 3 represents the pinnacle of AI innovation, providing unprecedented accuracy in predicting protein structures. This leap forward not only accelerates our understanding of biological processes but also opens new doors for drug discovery, genetic research, and the treatment of diseases. Imagine a future where scientists can decode the mysteries of life with greater speed and precision, leading to breakthroughs that were once thought impossible. Our latest blog post dives deep into the incredible capabilities of Alphafold 3, exploring how it builds on its predecessors to deliver even more accurate and reliable predictions. We’ll take you through the science behind the technology, the potential applications, and the transformative impact it’s set to have on the world of biology. Join us in exploring this exciting frontier in AI and biology. Discover how Alphafold 3 is poised to change the game, making scientific discovery faster, more efficient, and more insightful than ever before. 🌐 Visit https://lnkd.in/dxCsjdbA to read the full blog post and stay updated on the latest in AI innovation and biological research. #Alphafold3 #AIinBiology #OikosAI #ScientificBreakthrough #MolecularBiology #AIResearch #NextGenScience #BiotechInnovation #FutureOfScience #AIAdvancements
Alphafold 3 - The Next Leap In AI-assisted Biology
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Introducing "#Perceptein": A Step Toward Cellular Intelligence Recent advancements in synthetic biology have unveiled a revolutionary concept known as "Perceptein", developed by researchers at Westlake University and the California Institute of Technology. This protein-based artificial neural network operates within living cells, processing multiple signals and making critical decisions, such as whether to stay alive or undergo programmed cell death. How Does Perceptein Work? Inspired by the perceptron an essential concept in artificial neural networks perceptein uses engineered proteins to classify inputs and generate precise cellular responses. Unlike DNA or RNA-based systems, perceptein leverages de novo protein heterodimers and proteases for faster, more direct decision-making. Key features include: #SignalClassification: Proteins in the perceptein network bind and interact to classify signals based on strength, ensuring only the strongest input triggers a response. #OutputDecisions: By linking perceptein to pathways like caspase-3, cells can execute life-or-death decisions in response to specific conditions. #Applications in Biomedicine Perceptein circuits hold immense potential for: #ProgrammableTherapies: Cells can detect disease-specific signals and deliver tailored responses, such as targeted apoptosis in cancer. #AdvancedBiosensing: Real-time classification of cellular or environmental inputs for diagnostics and treatments. #BiologicalAI: Although in its infancy, this research opens doors to biology-based artificial intelligence systems. Why Is This a Breakthrough? This study, published in Science, showcases how artificial neural network theory can be applied at the protein level in mammalian cells. With tunable decision boundaries and robust performance even in noisy environments, perceptein circuits offer a glimpse into the future of intelligent cellular systems. The possibilities are vast—from building smarter therapeutics to designing biological systems capable of complex computations. #SyntheticBiology #Perceptein #Biotechnology #ProteinEngineering #NeuralNetworks #ArtificialIntelligence #Bioinformatics #CellularTherapies #BiologicalAI #Biomedicine #CancerResearch #ProgrammableTherapies #Proteomics #InnovationInScience #ScienceAndTechnology #MolecularBiology (Source of information-https://lnkd.in/gPupzpts) Here, each neuron is represented as spacecrafts, with their pilots in the cockpits depicted in the shape of protein 3D structures. These spacecrafts collectively process and transmit information to the final red neuron to make decisions on space navigation. The wires that connect the neurons, with the green substance inside, indicate the flow of biological information. (Credit: Ehmad Chehre)
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Wow, this phys.org article is interesting. I was thinking about this a while ago, actually, when it occurred to me that it would be extremely useful to be able to computationally figure out (using AI) which amino acid sequence would code for a protein that has a specific function. In other words, I thought it would be great to custom make a protein for a particular function. See my post from October 2021 on ResearchGate: https://lnkd.in/g2bBD9me. This is the content I posted on ResearchGate in October 2021: "It would be useful to create an AI (Artificial Intelligence) that takes a given 3-dimensional protein structure (of protein A) and gives you a list of combinations of codon triplets that can encode that particular protein structure. Protein A would have a specific structure that has been postulated to inhibit or activate enzyme B, and is thereby useful in that context. Thus, one would want to insert the gene for protein A into a micro-organism, which can then produce the protein in large quantities. Or, one can in a futuristic scenario, insert the gene into, say, the human genome." I am very glad that someone else came up with the same idea and has performed the research. #proteinfolding #proteins #computation #AI #science #discovery #biology #molecularbiology #bioinformatics (PDF) science idea regarding protein folding. Available from: https://lnkd.in/g2bBD9me [accessed Nov 15 2024].
A new computational technique could make it easier to engineer useful proteins
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🌟 Celebrating Innovation: The 2024 Nobel Prize in Chemistry 🌟 This year, the Nobel Prize in Chemistry honors revolutionary breakthroughs in protein science that are shaping the future of medicine, biotechnology, and environmental science. ✨ AlphaFold2 by DeepMind Demis Hassabis and John Jumper, leading figures at DeepMind, have solved a 50-year-old challenge in science: predicting the 3D structure of proteins with unprecedented accuracy. Their AI-powered tool, AlphaFold2, maps the structures of nearly all known proteins, opening new possibilities in drug discovery, enzyme engineering, and disease research. 🌍💡 ✨ David Baker's Designed Proteins David Baker's groundbreaking work at the Institute for Protein Design takes proteins beyond nature's blueprint. From universal flu vaccines to nanomaterials and biosensors, his team’s computationally designed proteins address critical real-world challenges. 🧬⚙️ This award highlights the transformative power of combining artificial intelligence with molecular science to address humanity's most pressing challenges. 🌐 👉 Dive into the full story to explore how these advancements are reshaping science and innovation. https://lnkd.in/dRscerNh Let’s celebrate the future of science and the profound impact of curiosity, collaboration, and innovation! 🎉 #NobelPrize #AlphaFold2 #ProteinDesign #Innovation #Science #ArtificialIntelligence
Understanding AlphaFold2: Revolutionizing Protein Structure Prediction
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Bio + AI | Stanford | Mubadala Capital
2moI think we have passed the protein era (3% of genome) and we are entering the RNA era