Screening Calculation Workshop Using Machine Learning MTS Method with myPresto

Workshop on drug discovery calculations using supercomputers

We will conduct screening calculations for drug candidate compounds using the free drug discovery software myPresto.

• Technical Seminar

In silico screening and MD can be easily performed.

MF myPresto is a graphical user interface (GUI) software developed for the molecular simulation system myPresto, which supports drug development and was developed as part of a commissioned project by the Ministry of Economy, Trade and Industry, NEDO, and AMED. By using MF myPresto, molecular dynamics (MD) calculations, docking simulations, and in silico screening can be easily performed with myPresto.

• others

Drug design software with high-speed screening calculation capabilities.

MolDesk Screening is a GUI program developed by Information Mathematical Bio Co., Ltd. to efficiently utilize the molecular simulation system myPresto for drug discovery support. 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 used selectively 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) ■ High-speed MD parallel calculations using MPI/GPU (NVIDIA CUDA) For more details, please refer to the catalog or feel free to contact us.

• Other information systems
• others

Support to quickly initiate experiments for the exploration of candidate drug compounds.

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 Fearlux Co., Ltd. - Sales and support for the use of MolDesk developed by Information Mathematical Biology Co., Ltd. - Bio Modeling Research is a supporting member of the Computational Science Promotion Foundation. For more details, please contact us or view the information from "PDF Download."

• Contract Analysis
• Other information systems
• Other services

Next-generation large resin and metal 3D printers that achieve astonishing high-speed molding, low-cost, and high-precision molding are being rapidly introduced to the market. These printers are being utilized in the manufacturing of large parts and products in the aerospace, automotive, industrial machinery, plant, defense, and social infrastructure sectors, as well as in parts and mold repairs and reverse engineering. In this seminar, we will discuss the latest developments and features of cutting-edge machines from Stratasys, the largest manufacturer of large resin 3D printers, and Lobotics, along with domestic and international case studies. We will also explore innovative molding technologies from leading users such as Fujikohsai Industries and Sanko Gosei, who utilize large metal 3D printers from Meltio and Matsuura Machinery to create large metal parts, large metal products, and large mold components. The seminar will provide concrete and easy-to-understand explanations of key points and considerations for implementation and utilization, various manufacturing examples, and discussions on molding size, quality, cost, lead time, and success and failure stories. 3D printers enable the complex integrated molding of multiple parts into a single large shape, which was impossible with previous processing methods and technologies. This capability allows for a significant reduction in the number of parts, achieving short lead times, low costs, high-quality manufacturing, and a reduction in the number of processes and personnel involved.

[Speaker] Naomasa Shibuya, Department Manager Data Marketing Unit, Strategy and Platform Division East Japan Railway Company Marketing Headquarters [Key Lecture Content] East Japan Railway Company announced a new group management vision, "Yusho 2034," aimed at realizing a rich life for all people by July 2025. In addition to the railway transportation business, we will further expand lifestyle service businesses (non-railway) such as station facilities, station buildings, hotels, and real estate, promoting human-centered marketing focused on our customers. To achieve this, data marketing utilizing usage history from Suica and JRE Point members is essential. It is not enough to simply implement tools or acquire analytical techniques; it is crucial to cultivate personnel who understand the business and can conduct appropriate data analysis and strategy planning. We will also introduce the development of job-type personnel in data marketing, which we began recruiting in 2024. In this lecture, I will discuss the key points for advancing data marketing within a business company, incorporating case studies.

[Lecturers] Mitsubishi UFJ Research and Consulting Co., Ltd. Consulting Business Division Sustainability Business Unit, Sustainability Strategy Department, Group 1 Senior Manager Ryo Maeda Consultant Keiro Shimada [Key Lecture Content] Towards achieving carbon neutrality by 2050, Japan is advancing the introduction of a carbon pricing system. This lecture will explain the overview of carbon pricing and the price determination mechanisms for fossil fuel levies and specific business burdens, and will discuss future price forecasts and their impact on companies. Furthermore, it will organize the latest trends in GX-ETS Phase 2 and carbon credits, as well as issues related to credit supply and demand and utilization, and will propose measures that companies need to take in light of the introduction of the carbon pricing system. [Lecture Items] 1. Trends in the carbon pricing system 2. Trends in carbon credits 3. Required responses from companies 4. Q&A / Business card exchange

We will be exhibiting at the "International Frontier Industry Messe," one of the largest comprehensive exhibitions in western Japan. September 4 (Thursday) - 5 (Friday), 2025 Kobe International Exhibition Hall 2nd floor, Hall 1, Booth Number P-74 Inside the Aioi Chamber of Commerce booth We sincerely look forward to your visit.

In recent years, the pharmaceutical and medical industries have faced urgent challenges, including the digitization of standard operating procedures (SOPs) and the strengthening of continuous education and human resource development. In this webinar, we will introduce a comprehensive system that not only streamlines operations but also consistently supports education and human resource development by integrating Agatha's SOP management cloud solution "Agatha SOP" with "Ave-TMS," a training management system provided by BIO-TREND BIOPRODUCTS, with whom Agatha has recently signed a distribution agreement. [Program] Part 1: 14:00 - 14:20 "Introduction to Agatha Solutions" Agatha Inc. Sales & Marketing Department, Quality Group Part 2: 14:20 - 15:00 "Ave-TMS Demo Presentation" BIO-TREND BIOPRODUCTS Project Manager, Choi Woo-Chun *For Q&A, please fill out the survey displayed after the webinar, and we will respond later.