Sheraz Ahmad’s Post

Are medical studies being written with ChatGPT? We all know ChatGPT overuses the word "delve". Look below at how often the word 'delve' is used in papers on PubMed (2023 was the first full year of ChatGPT). #research #ChatGPT #AI

AI docking for real-world virtual screening has arrived London-based startup RECEPTOR.AI announced a new version of its AI docking software, ArtiDock v2.0. The company also published a preprint disclosing details about the model architecture, training, and tuning. Receptor.AI notes that the first generation of AI docking techniques used simple and lightweight model architectures and demonstrated results that were inferior to conventional docking. This issue was mitigated, to some extent, in the second generation of AI docking models by using much heavier architectures. The boost of accuracy, however, came at the expense of very complex architectures, large model sizes, and, as a result, very slow training and inference. ArtiDock exploits the opposite approach by providing a deliberately lightweight and fast model architecture, which is trained on a larger amount of augmented data. This results in better prediction accuracy without compromising the inference speed. ArtiDock uses two sources of augmented data: the PocketCFDM algorithm for generating artificial protein-ligand complexes, which mimic real protein binding pockets in terms of statistical distributions of the non-bond interactions, and the ensembles of representative protein conformations obtained from the impressively massive MD simulations of ~17,000 protein-ligand complexes. ArtiDock 2.0 excels on the PoseBusters v3 dataset, which is deliberately designed to challenge AI docking technologies. The model systematically outperforms all other AI docking techniques, and it also leaves behind conventional docking programs such as Glide, Gold and Vina. The quality metrics of the generated binding poses are unprecedented for AI techniques and go on par with conventional docking, according to comments from the Receptor.AI team. All this is several orders of magnitude faster than the industry standard rivals, which allows using ArtiDock in ultra-high-throughput virtual screening scenarios involving multiple protein conformations and multiple explicit off-targets. In some of the case studies communicated by Receptor.AI, usage of ArtiDock allowed for achieving hit rates of a whopping 40% and discovery of the lead-like compounds with in vivo activity from the single iteration of virtual screening. (link in the comments) ArtiDock is currently being integrated into the NVIDIA hashtag #BioNeMo cloud platform for drug development, which will make it available to a wide range of interested biotech and pharma companies in the near future. #MedicinalChemistry #DrugDiscovery #artificialintelligence #Artidock Video credit: RECEPTOR.AI

Researchers at Google DeepMind have developed AlphaFold 3, an AI model that can predict the structure of and interactions between biological molecules including proteins, DNA and RNA, and small molecules that could function as drugs. Google DeepMind will make the model available for non-commercial use through AlphaFold server. The landmark innovation, the details of which were published in the journal Nature (bit.ly/3yaLLSL) is likely to dramatically accelerate biological research.  #af3 #drugdiscovery #ai

AI Journey to $1591.03 Billion by 2030 The artificial intelligence (AI) market is on an extraordinary trajectory of growth, as revealed by data from Precedence Research. The AI market size, which stood at $227.46 billion (USD) in 2024, is projected to skyrocket to an astounding $1591.03 billion (USD) by 2030. This exponential growth signifies a seven-fold increase in just six years, highlighting the immense potential and impact of AI technologies across industries. The rise of AI is reshaping business landscapes, driving innovation, and revolutionizing how organizations operate. From predictive analytics and machine learning to natural language processing and robotics, AI-powered solutions are unlocking new possibilities and driving digital transformation on a global scale. Key drivers contributing to this remarkable growth include advancements in AI algorithms, increased adoption of AI technologies in sectors like healthcare, finance, retail, and manufacturing, and the growing demand for automation and intelligent decision-making capabilities. As businesses and industries harness the power of AI to stay competitive, enhance customer experiences, and drive operational efficiencies, the AI market is poised for unparalleled expansion and innovation in the coming years. The journey towards a $1591.03 billion AI market by 2030 represents not just a numerical milestone, but a testament to the transformative potential of AI in shaping the future of technology, business, and society. It's an exciting era where intelligent technologies are driving progress and unlocking new opportunities for growth and innovation. #AI #ArtificialIntelligence #MarketGrowth #DigitalTransformation #Innovation

Very nice - EMBL-EBI is offering a free AlphaFold tutorial. As per their website, the AlphaFold Training Program provides an understanding of the fundamental concepts behind AlphaFold2, how users can run protein predictions and how AlphaFold2 has been used to enhance research. The tutorial is aimed at researchers who are interested in using AlphaFold2 to predict protein structures and integrate these predictions into their projects. Estimated time to complete is 3 hours; to access some of the resources listed in this course, you will need a Google Account. Enjoy! https://lnkd.in/eY8tFmCG

#science Meet Dayhoff, the female Evolutionary Biologist who founded Bioinformatics. She pioneered computational techniques for comparative analysis of proteins and nucleic acids sequences, creating the first public database (The Atlas of Protein Sequence and Structure :1965). As a professor at Georgetown University, her research delved into the origins of life and the role of protein sequences in evolutionary biology. #bioinformatics #biotechnology #biology #biotech #molecularbiology #genetics #science #biochemistry #microbiology #dna #research #genomics #medicine #immunology #bioinfo #biotechnologist #cellbiology #microbiologist #biologist #scientist #datascience #lifesciences #phdlife #biostatistics #bdglifesciences #health #chemistry #bio #itsdifferentbybiodiscovery #biotechnologystudent