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From Concept to Reality: Efficient Protein Pocket Design with PocketGen
ByAnchal Negi November 24, 2024October 22, 2026

Protein pockets have been an integral part of drug discovery for several years and are also targeted during the design of novel molecules. Pockets refer to the parts of proteins where small molecules or ligands would be able to attach and mediate the desired effect. Creating the same, however, has been one of the daunting…

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AI | Bioinformatics | Chemoinformatics | Drug Discovery | LLM | News | Paper Summary | Tools | Trending

Unlocking New Possibilities in Drug Design: DrugLLM’s Novel Approach to Few-Shot Molecule Generation Using Open Large Language Models
ByDeotima Chakraborty May 16, 2024October 22, 2026

The languages of biology and chemistry are difficult for language processing and computer vision systems to grasp, notwithstanding their advances in language processing. Although LLMs can improve few-shot learning, they are not very good at capturing the connection between pharmacochemical characteristics and molecular structure, which makes small-molecule drug modification less effective in few-shot learning. Researchers…

Read More Unlocking New Possibilities in Drug Design: DrugLLM’s Novel Approach to Few-Shot Molecule Generation Using Open Large Language Models
AI | Bioinformatics | Drug Discovery | Machine Learning | News | Paper Summary | Structural Biology | Tools | Trending

Designing Multi-Tasking Drugs: How POLYGON Makes Polypharmacology Easier with Deep Generative Chemistry
ByDeotima Chakraborty May 9, 2024October 22, 2026

Drugs with polypharmacology, or substances that block several proteins, offer a wide range of uses but are challenging to create. To overcome this difficulty, researchers from the University of California San Diego created POLYGON, a generative reinforcement learning-based method for polypharmacology. In order to develop novel molecular structures, POLYGON embeds chemical space and repeatedly samples…

Read More Designing Multi-Tasking Drugs: How POLYGON Makes Polypharmacology Easier with Deep Generative Chemistry
Bioinformatics | Chemoinformatics | Computational Models | Drug Discovery | News | Paper Summary | Protein Design | Structural Biology | Tools | Trending

Unlocking New Drug Targets: Researchers Develop Computational Method to Target Proteins Inside Cell Membranes
ByAnchal Negi March 28, 2024October 22, 2026

Can you imagine that you can design proteins that have a particular function, and they are like small robots working inside our cells? This may be the reality pretty soon. Researchers from the University of California and Yale University came up with an innovative way of creating transmembrane proteins from scratch, thus leading to targeted…

Read More Unlocking New Drug Targets: Researchers Develop Computational Method to Target Proteins Inside Cell Membranes

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