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Chemical simulation software - List of Manufacturers, Suppliers, Companies and Products

Chemical simulation software Product List

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Free Webinar: Cosmetics Development Utilizing Digital Chemistry, February 19

Physics-based simulation and machine learning software for a wide range of users, from beginners to experts in computational chemistry.

Schrödinger, Inc. will hold a webinar for materials science on February 19 (Wednesday) titled "Virtual testing of personal care and cosmetics formulations using digital chemistry methods." The development of sustainable products faces many challenges, requiring time, resources, and new raw materials. Predictive modeling is gaining attention to streamline this process. It allows for the identification of promising ingredients and formulations that meet standards, as well as new packaging materials, providing molecular-level understanding through virtual testing using computational methods. Specifically, it enables the analysis of the behavior of individual components, the form of formulations, stability, and interactions with biological surfaces. Additionally, it allows for the exploration of interactions between products and packaging materials, helping to identify factors that significantly affect shelf life. In this seminar, we will demonstrate through case studies how computational chemistry can assist in product development, container design, and analysis during product use. We invite you to join us without hesitation.

  • Embedded OS
  • Cosmetic materials and raw materials
  • Cosmetic synthesis and fermentation

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Challenging the structural prediction of unstructured epitopes and long CDR H3 loops.

Application of replica exchange MD to the structural prediction of antigen-antibody complexes with long CDR H3 loops and disordered epitopes exceeding several dozen residues.

Schrödinger's drug discovery platform utilizes computational chemistry techniques based on the first principles of physics, enabling advanced drug design based on protein structural information, and is being utilized by major pharmaceutical companies worldwide. We will present the latest results of antigen-antibody simulations using our software at the seminar below. 22nd Annual Meeting of the Japanese Society for Protein Science Luncheon Seminar [Date and Time] June 7 (Tuesday) 12:00 - 12:50 Venue: Tsukuba International Conference Center 2F E Hall Session ID: LS1E [Program] Schrödinger's approach to physics-based antibody analysis and design: dealing with disordered epitopes and very long CDR H3 loop We will also have a booth at the corporate exhibition, so please stop by. You can experience Schrödinger's Biologics Modeling Suite: BioLuminate.

  • シュレーディンガー_セミナー要旨.jpg
  • antibody_GP120.png
  • Software (middle, driver, security, etc.)
  • Other embedded systems (software and hardware)
  • Structural Analysis

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Presentation of Japanese Language Materials: Information on Hit Exploration Services

Quickly achieve diverse hits with industry-leading calculation tools.

We support drug discovery programs by leveraging Schrödinger's unique technology and expertise. By utilizing our experts along with the latest large-scale virtual screening and rigorous scoring techniques, we lead hit discovery to success. ■ Maximize the use of Schrödinger's hit discovery capabilities There is no need for initial investments in licenses or hardware. All computational resources, licenses, and working time necessary for cutting-edge hit discovery are included in the service. ■ Acquire a greater number of high-quality hit compounds with our unique scoring technology ■ Maximize novelty and diversity through screening billions of compounds ■ Enable FEP+ execution from structural information at any level Whether starting from template-based homology models, AlphaFold models, incomplete cryo-EM structures, or experimental X-ray structures, we provide the scientific insights and computational resources needed to address your unique projects. *For more details, please refer to the catalog.

  • Embedded OS
  • Other research software
  • Contract Analysis

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