The field of pharmacophore modeling has steadily emerged as a cornerstone in the rational design of kinase inhibitors. By abstracting the essential molecular features required for optimal binding to ...

This is the final episode in our three-part GENcast series, where we discuss the virtues of mechanistic modeling and how it can significantly impact critical decision-making points in the drug ...

Innovative Science in the Areas of Small Molecule Modeling, Fragment-Based Design, Transmembrane Proteins, and Antibody Modeling Sets New Standard for Life Science Research and Development SAN DIEGO, ...

NVIDIA, the Silicon Valley micro-processing giant that invented the graphics processing unit (GPU) more than two decades ago, is expanding its presence in AI-based drug discovery with three ...

Mailankody S, Devlin SM, Landa J, Nath K, Diamonte C, Carstens EJ, Russo D, Auclair R, Fitzgerald L, Cadzin B, Wang X, Sikder D, Senechal B, Bermudez VP, Purdon TJ ...

Governing equations in the form of ordinary and partial differential equations are valuable models for physical systems. However they can be difficult to derive, making them unknown, particularly for ...

A new study has utilized AlphaFold machine-learning software to find potential targets in the Escherichia coli (E. coli) essential proteome for developing novel antibacterial drugs. Drug discovery is ...