Open Molecules 2025, an unprecedented dataset of molecular simulations, has been released to the scientific community, paving ...

A new AI model, React-OT, could revolutionise computational chemistry by predicting transition states with remarkable ...

Young entrepreneurs and scientists are using advanced technologies including AI to improve diagnostics and access to ...

A study published in the Journal of Medicinal Chemistry presents a new family of candidate compounds for the treatment of ...

Computational chemistry describes the use of computer ... Here, the authors introduce a pretrained deep protein language model that significantly reduces training time while maintaining or ...

AlphaEvolve finds new algorithms that outperform the best human-made solutions for data center management, chip design, and ...

SAS and Microsoft expand their AI partnership, launching decision-making tools and previewing quantum AI’s potential at SAS ...

Dr. Qian emphasized that Viva has over 15 years of experience in structure-based drug discovery (SBDD), supported by ...

Ainnocence’s CarbonAI® Platform for AI-Powered Small Molecule Drug Design — Enabling De Novo Generation, Lead Optimization, ...

Computer simulations help materials scientists and biochemists study the motion of macromolecules, advancing the development ...

Meet “Zangenite,” a hollow crystal structure named in honor of the NYU graduate student who discovered it. Crystals, whether found in sugar, table salt, snowflakes, or diamonds, do not always grow in ...