A Technical Overview of Molecular Simulation Software
An analysis of leading software for molecular modeling and simulation. Learn about features, theoretical methods (MD, QM), performance, and use cases.
Back to Articles
Articles tagged with “molecular-modeling”
A Comparative Analysis of Cheminformatics Platforms
An in-depth technical comparison of five cheminformatics platforms (RDKit, ChemAxon, OpenEye, Schrödinger, BIOVIA), evaluating SAR/QSAR, ADMET prediction, virtual screening, and chemical library management. Updated for 2026 with Certara-ChemAxon acquisition, ROCS X launch, and AI integration trends.
GenAI Proof of Concept in Pharma: Accelerating Drug Discovery and Development
A comprehensive exploration of generative AI proof of concepts in pharmaceutical research, examining real-world applications, implementation strategies, and measurable outcomes across the drug development pipeline.