Altair, a global leader in computational intelligence, announced it will host ATCx Simulate at the Speed of Design 2025, a ...

Post-translational modifications (PTMs) play a crucial role in allowing cells to expand the functionality of their proteins and adaptively regulate their signaling pathways. Defects in PTMs have been ...

Qoro and Galicia Supercomputing Center (CESGA) recently collaborated to explore the potential of scalable, distributed ...

Before running a quantum chemistry program for a molecule in solution it's necessary ... surrounding solvent molecules through molecular simulation. The process of setting up and running these ...

it's necessary to determine the geometry of the solute molecule and the location and orientation of the surrounding solvent molecules through molecular simulation. The process of setting up and ...

As large-molecule drugs and weight-loss therapeutics ... and gastric morphology and motility simulation, to differentiate formulation strategies even before entering preclinical studies.

The goal, he says, is to expedite the synthesis of potential small-molecule drug compounds multifold ... he says he has a bias for synthesis over simulation because it yields molecules that ...

AVI-4303, which is a C5 benzotriazole analog, exhibited ten-fold higher potency than AVI-3318. Comparatively, N1 propargyl ...

Key TakeawaysThe Liquid Sunlight Alliance is a multi-institutional collaboration working to develop the tools needed to use ...