バイオモデリングリサーチ List of Products and Services

Bio Modeling Research Co., Ltd. is a company that supports research in the life sciences field through IT technologies such as molecular simulation and molecular modeling. We primarily support experimental research in academia, and we also engage in creating computational programs for research, data analysis, and organizing seminars. 【Main Services】 ■ Support for the use of drug discovery computational support software myPresto ■ Hosting drug discovery computational workshops ■ Sales of the GUI software MolDesk for running myPresto ■ Contracted computations ■ Software development and maintenance *For more details, please refer to the PDF materials or feel free to contact us.

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Using the free drug discovery software myPresto, we will practice the procedures for preparing molecules for simulation, docking, MD calculations, and screening calculations.

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MolDesk Screening is a GUI program developed by Information Mathematical Bio Co., Ltd. for efficiently utilizing the molecular simulation system myPresto, which supports drug discovery. myPresto was developed as part of a commissioned project from the Ministry of Economy, Trade and Industry, NEDO, and AMED. In MolDesk Screening ver.1.1, virtual screening of 2 million compounds can be performed on a PC (8 parallel) in half a day to 2 days. During virtual screening, four different ranking methods—docking score order, MTS method, machine learning MTS method, and machine learning DSI method—can be selectively used depending on the situation. 【Features】 ■ Fast screening calculations executed in thread parallelism ■ Easy confirmation of docking poses for top compounds ■ High-precision pocket exploration using myPresto's Molsite ■ Ability to substitute amino acids in proteins with other amino acids (supports 40 types including chemically modified amino acids) ■ Fast MD parallel calculations using MPI/GPU (NVIDIA CUDA) For more details, please refer to the catalog or feel free to contact us.

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• Scientific Calculation and Simulation Software

Bio Modeling Research Co., Ltd. supports experimental research in the life sciences using IT technology. We assist in quickly starting experiments for drug candidate compound discovery, from docking calculations to the initiation of experiments. Bio Modeling Research utilizes the FOCUS supercomputer operated by the Computational Science Promotion Foundation and the HGC supercomputer at the University of Tokyo's Institute of Medical Science, enabling relatively inexpensive large-scale computations using over 500 cores. 【Features】 - Primarily uses myPresto for in-silico screening calculations - Sales and support for the use of MF myPresto developed by Fearax Co., Ltd. - Sales and support for the use of MolDesk developed by Information Mathematical Bio Co., Ltd. - Bio Modeling Research is a supporting member of the Computational Science Promotion Foundation. For more details, please contact us or check "PDF Download."

• IoT
• others
• Scientific Calculation and Simulation Software