Molecular Modelling Companies

Disclaimer: List of key companies in no particular orderLatest Molecular modeling Companies Update

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  June 2023: Sandbox AQ, an enterprise SaaS provider, will officially unveil its AQBioSim biopharma molecular modeling platform. The department collaborates with AstraZeneca, Sanofi, and the University of California, San Francisco (USCF) to develop medicines for diseases including cancer, Alzheimer's, and Parkinson's. The leapfrog technology used by SandboxAQ has the potential to drastically affect the clinical and preclinical stages of drug development. In order to outperform conventional approaches, the business has developed a molecular simulation department. As an example, the company's partnership with the USCF made use of the company's patented Absolute Free Energy Perturbation program to create millions of predictions of molecular interactions, allowing for quick identification of new therapeutics for a wide range of illnesses. This effort was made in an effort to find novel chemical building blocks for treating neurodegenerative diseases.

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  September 2022: researchers from the Medical School at Xi'an Jiaotong University used an AI-assisted medication design service powered by China's Huawei Cloud's Pangu medication Molecule Model to build a novel broad-spectrum antibacterial medicine in only one month while cutting R&D expenditures by 70%. The screening of hundreds of millions of existing pharmacological molecules is a key issue in the field of new drug development. Drug screening has always been conducted in labs by professionals, which is expensive, time-consuming, and often unsuccessful. With its training on 1.7 billion drug-life molecules, Huawei's Cloud Pangu Drug Molecule Model can accurately predict the physicochemical features of pharmacological compounds and assign them a druglikeness score. The highest-scoring medicinal compounds can then be the focus of focused research.

• Cresset Acellera Ltd


• Schrodinger LLC (Germany)


• Optibrium (United Kingdom)


• Biosolve-IT (Germany)


• Simulations Plus Inc (USA)


• Chemical computing group (Canada)


• Centera LP


• OpenEye Scientific Software (USA)


• Dassault Systems (USA)


• Cambridge Crystallographic Data Centre (United Kingdom)