[Japanese Example] Calculation and Analysis Tool for Environmentally Friendly Cosmetic Formulation Design
[L'Oréal Case] Molecular Dynamics and Coarse-Grained Simulations to Facilitate the Formulation Design of Eco-Friendly Cosmetics
L'Oréal, the world's number one cosmetics company, has gained a deeper understanding of the differences in shear behavior between synthetic polymers and polysaccharide polymers on biomimetic surfaces by utilizing Schrödinger's software. • New insights into the aggregation behavior of shampoo formulations were obtained using simulated hair surfaces. • The influence of polymer topology was demonstrated, linking observed polymer interactions to experimentally observable phenomena. • A framework was established for studying complex formulations in contact with biomimetic surfaces using molecular dynamics simulations. • The design of eco-friendly cosmetic formulations was rationally accelerated.
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Researchers from L'Oréal and Schrödinger explored the differences in behavior of synthetic polymers and eco-friendly polymers on hair by constructing a formulation model and a hair surface model. All models and simulations were executed using the Schrödinger Materials Science Suite and Desmond for molecular dynamics (MD). *For more details, please refer to the PDF document.*
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Schrödinger Co., Ltd. is the Japanese subsidiary of Schrödinger Inc., headquartered in New York, USA. Schrödinger has a history of about 30 years in developing software that integrates advanced technologies in chemistry and computer science, primarily in the fields of materials science and life sciences, providing advanced solutions for drug discovery, biologics, and materials research and development.