Simulations Plus, Inc. develops drug discovery ... and Toxicity Predictor for chemistry-based computer program that takes molecular structures as inputs and predicts their properties; and MedChem ...

Polymer chemistry is the study of the synthesis, characterization and properties of polymer molecules or macromolecules, which are large molecules composed of repeating chemical subunits known as ...

Such techniques are dependent on a description of how the molecules will interact – a force field – and are popular in materials chemistry ... use metadynamics simulations and show that ...

May 24, 2025 — A serendipitous observation has led to a surprising discovery: a new class of nanostructured materials that can pull water from the air, collect it ...