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

A leading software platform for molecular discovery and optimization for innovators in the biotechnology and pharmaceutical industries. It supports the design of highly efficient new therapeutics through the exploration of vast compound spaces and high-precision predictions of molecular properties. *For more details, please feel free to contact us.*

By using cutting-edge computer modeling technology from Schrödinger and an enterprise informatics platform, it becomes possible to rationally design high-quality biopharmaceuticals such as monoclonal antibodies, vaccines, enzymes, and peptides. - Prediction of protein structures, their refinement, and dynamics - Detection and mitigation of physicochemical issues - Prediction and analysis of protein interactions - Protein design through In Silico Mutagenesis - Visualization and analysis of sequences - Analysis of molecular and thermodynamic properties - Design of fusion proteins and linkers *For more details, please feel free to contact us.*

FEP+ is a technology based on the free energy perturbation method uniquely developed by Schrödinger. It enables the prediction of binding free energies between proteins and ligand molecules with reliability comparable to experiments across a wide chemical space. *For more details, please feel free to contact us.*

Schrödinger's biologics and antibody drug discovery tools contribute to shortening development times through advanced simulations of various biologics. As an example, the following features are available: - Experimental value prediction and analysis using protein structure modeling - High-precision prediction techniques using FEP calculations *For more details, please feel free to contact us.

Executive Summary - Evaluation of dissolution profiles for various combinations of drugs and polymers under specific conditions - Identification of interactions causing release delays in specific formulations - Cohesive complementary experimental data through molecular-level visual and numerical insights - Insights gained regarding new excipients for formulation compositions to achieve target solubility *For more details, please feel free to contact us.*

To create the desired molecules within limited time and resources, it is necessary to utilize not only design based on the experience of craftsmen but also data-driven idea generation using computational chemistry. LiveDesign provides a cloud-based digital space where all project team members can work simultaneously. By generalizing the digital design process to be accessible to everyone while leveraging design strategies in medicinal chemistry, cheminformatics, computational chemistry workflows, virtual design, and predictive methods, we enhance the productivity of the design cycle. It also enables access to existing data, allowing everything to be executed through a single interface. By utilizing calculations and predictions before synthesis, it becomes possible to design compounds with a high probability of success. 【Three Benefits】 - Bridge the gap between real data and virtual data - Shorten the design cycle - Centralize collaboration and decision-making *For more details, please feel free to contact us.

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.

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.