Accurate extraction of molecular representations is a critical step in the drug discovery process. In recent years, significant progress has been made in molecular representation learning methods, ...

In a study published in Cell Research, a research team has, for the first time, resolved the high-resolution in situ structure of the central apparatus (CA) within the axoneme of mammalian sperm.

Boltz-2 breaks new ground by jointly modeling both structure and binding affinity, a critical parameter in small molecule drug discovery.

Boltz-2 is an open-source biomolecular model achieving near-FEP accuracy with 1000x faster predictions for structure and binding affinity. Quiver AI Summary MIT and Recursion have released Boltz-2 ...

The MIT model predicts molecular binding affinity at newfound speed and accuracy, offering a powerful tool for commercial drug discovery.

Spartan Chemical Company, Inc., a recognized leader in the formulation and manufacture of sustainable cleaning and sanitation solutions for the industrial and institutional market announced today that ...

Consequently, food molecules often provide chemical scaffolds that are optimized for protein binding 49 but also have a broad range of structures and features.

The center piece of the session is a new chemical structure drawing game, named CHEMmunicate, which is designed to be fun and interactive, while also helping to build students’ scientific ...

New chemical structures show vastly improved carbon capture ability Date: December 12, 2024 Source: Oregon State University Summary: Researchers have synthesized new molecules able to quickly ...

Scientists have found a way to more than double the uptake ability of a chemical structure that can be used for scrubbing carbon dioxide from factory flues.

Attention monitoring and guidance are facilitated via a bidirectional mapping between 2-D structural formulas and 3-D molecules. We showcase our approach with an interactive teaching scenario in which ...