シュレーディンガー List of Products and Services

We would like to introduce Schrödinger's software that supports the prediction of physical properties of polymers and resins. 【Product Features】 ■ Accelerates MD calculations with high-efficiency GPU code Tens of thousands of atoms x hundreds of nanoseconds/day = lGPU ■ Unique high-precision force field parameter OPLS4 ■ Diverse polymer structure builder including cross-linked resins ■ Physical property prediction and analysis tools *For more details, please feel free to contact us.

We will introduce the features of Schrödinger's Materials Science Solutions (MSS) in an easy-to-understand manner. 【Product Features】 ■ Molecular design using quantum calculations ■ Prediction of liquid and polymer physical properties ■ Crystals, surfaces, and interfaces: First-principles calculations for periodic systems, chemical reactions on electrodes and catalysts, and a wide range of applications to semiconductors/molecular crystals/MOFs ■ Statistical analysis and machine learning ■ Flexible and powerful GUI/CUI user interface *For more details, please feel free to contact us.

Schrödinger provides a software platform for innovation in the development of diverse materials, including polymer materials, organic electronics, catalysis and reactivity, thin film processes, energy recovery and storage, pharmaceutical formulations, consumer goods, metals, alloys, and ceramics. By exploring vast compound spaces and predicting molecular properties with high precision, it supports the rapid design of new materials and enhances cost efficiency. This document provides an overview of the platform for materials development. *For more details, please feel free to contact us.*

We offer a wide range of modeling services to accelerate and support your projects at each stage of the drug discovery process. - You can leverage Schrödinger's latest technology on a large scale. - You can utilize the expertise of our computational chemistry specialist team. - This includes all licenses, computational environments, and service hours. ■ Target Functionalization Services We unlock the potential of programs to enable structure-based rigorous drug design. ■ Hit Discovery Services Using the latest virtual screening technologies, we quickly identify a more diverse range of hit compounds. ■ De Novo Design Services We rapidly generate and prioritize novel design ideas that meet project-specific conditions. ■ Structure-Based ADMET Services Through structure-based design, we more efficiently reduce risks related to ADMET. ■ Crystal Structure Prediction Services By identifying the most stable polymorph at room temperature, we reduce risks associated with solid form selection.

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.

Save time and resources—leave the preparation of target protein-ligand systems for structure-based drug discovery to us. Whether starting from X-ray structures, cryo-EM structures, AlphaFold predicted structures, or homology models, Schrödinger's scientists will utilize their unique technologies and expertise to optimize and validate protein-ligand complexes for highly accurate structure-based design. ■ Create designable structures that are on-target or off-target ■ Complement your unique insights on targets with our computational chemistry Schrödinger provides extensive expertise gained from addressing challenging targets in structure-based drug discovery using FEP+. ■ We can accommodate starting from template-based homology models, AlphaFold models, incomplete cryo-EM structures, or experimental X-ray structures. *All computational resources, licenses, and working hours necessary for comprehensive evaluation of target proteins and the construction of accurate structural models are included in the service. *For more details, please refer to the catalog.

- Maximize the use of Schrödinger technology: The service includes all necessary computational resources, licenses, and working hours to conduct comprehensive simulations tailored to research and development needs. - Provide flexible and customizable solutions for project success: Your software, hardware, and computational resources are not required. During and after the project, you will receive knowledge transfer and training from our experts. We design and provide tools and solutions according to your objectives. - Complement your expertise with Schrödinger's specialized capabilities: After jointly defining the scope of deliverables, experts in materials applications and digital simulations will carry out the project.