molecular modeling

In drug discovery, the difference between a breakthrough and a breakdown can be as small as the twist of a bond. Stereochemistry, the three-dimensional arrangement of atoms, governs how otherwise identical molecules behave in the body: whether they bind the intended target, trigger off-targets, or get cleared in minutes rather than hours. “Shape really does…

Quantum computing technology continues to advance closer to an everyday reality. While the potential applications of quantum in certain sectors are more speculative, the pharmaceutical industry is poised to be transformed by quantum technology.This sector is likely to be the fastest to unlock the benefits of quantum computing, once the technology is fully realized. But…

Technically, graphics processing and AI hardware powerhouse Nvidia is also a drug discovery company. It may not discover drugs in-house, but it has developed BioNeMo, a comprehensive generative AI platform for drug discovery and Clara, a collection of healthcare frameworks, applications, and tools, including for biopharma. Nvidia partners include Amgen, AstraZeneca, GSK and Insilico Medicine.…

The word “revolutionize” gets thrown around a lot in describing the potential of emerging technologies. But quantum computing could make good on the promise to disrupt healthcare applications ranging from drug discovery to medical imaging. Theoretically, a quantum computer with 300 quantum bits (qubits) could crunch more calculations in an instant than there are atoms…

The clinical-stage company Verseon (Fremont, California) is unique among companies exploring the use of AI in drug discovery given its focus on what it calls the “uncharted” chemical space. While Big Pharma companies typically test compounds from their collections for specific diseases, these collections often have constraints and overlapping compounds. Adityo Prakash, CEO of Verseon,…