Drug discovery is a costly and time-intensive process, with binding free energy calculations between the potential drug ...

A novel geometric deep learning framework designs ligand-specific protein binders, enhancing therapeutic potential in cell therapies and synthetic biology.

His team harnesses advanced computational technologies, including AI, with the aim of enhancing the discovery, design, optimization and synthesis of small molecules to be developed into innovative ...

Innovative designs of GPCRs with enhanced signaling and stability offer new insights for drug discovery and synthetic biology ...

Researchers have developed a computational method to explicitly consider the impact of water while designing membrane receptors with enhanced stability and signaling, paving the way for novel drug ...

Scientific Computing World is hosting a virtual roundtable in February for research leaders, scientists and R&D experts in drug discovery, particularly those working with new modalities, such as RNA ...

Modern protein drug discovery relies on successfully integrating computational predictions and experimental data. As the volume and complexity of both predicted and empirical data continues to ...

The partnership seeks to address challenges in small molecule screening and design of drugs by integrating AI ... Psivant ...

Dr Alan D. Roth, CEO of Oxford Drug Design, highlighted the significance of their achievement. “This new milestone is a testament to the accuracy and reliability of our computational platform, SynthAI ...

It employs the proprietary Hermite® computational drug design software to elucidate the dynamics of "undruggable" targets and explores a broader chemical space encompassing small molecules ...

Nimbus has also expanded its pipeline with the addition of new undisclosed therapeutic targets leveraging its novel computational and structure-based drug design approach. "Nimbus made significant ...