Molecular Simulations

Molecular Simulations was a scientific software company best known as MSI, providing molecular modeling, simulation, and informatics software and services for life science and materials science research. Its products were used in areas such as structure-based drug design, computational chemistry, bioinformatics, and scientific data analysis rather than in developing its own therapeutic pipeline. The company was acquired by Pharmacopeia in 1998, and its business was later folded into Accelrys, which combined several scientific software assets. Accelrys was subsequently acquired by Dassault Systèmes, and the legacy software portfolio now sits within BIOVIA. For biotech analysts, Molecular Simulations is best understood as a historical life-science-enabling software company rather than a drug developer.