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

In this 5S seminar, we won't just stop at "organizing and tidying up." We will provide plenty of tips on how to utilize 5S as a "visualization of work" and a "tool for discovering waste," evolving the workplace into a more comfortable and productive environment! ✅ Improvement tips you can use starting tomorrow ✅ Engaging and practical exercises and workshops that will inspire and excite you From "doing it because I was told to" to "wanting to take action myself" Your step forward will lead to the evolution of the entire team. This is an opportunity to cultivate a "mindset for improvement" among young employees and enhance the autonomy of the entire organization. From "waiting for instructions" to "thinking and taking action" As you become more accustomed to your work, you will notice the waste and potential that exists. Now, let's gain the "power to change" with 5S! Benefits of 5S: 1. People grow 2. Time becomes more abundant 3. The workplace environment improves 4. 5S does not require significant costs 5. It can be implemented regardless of company size or job type 6. It is appreciated by stakeholders We will teach you the tips to transform 5S from something done because a superior said to do it, or only when there is time, into an enjoyable and sustainable practice. *For more details, please download the PDF or contact us.

Our company will be exhibiting at the "New Functional Materials Exhibition 2025," which will be held at Tokyo Big Sight starting from January 29, 2025 (Wednesday). We would be delighted if you could visit us at the venue if you have the time. ┏━━━━━━━━━━━━━━━━━━━━━━━━━━ ■ Exhibition Information Details ┗━━━━━━━━━━━━━━━━━━━━━━━━━━ Exhibition Name: "New Functional Materials Exhibition 2025" Exhibition Venue: Tokyo Big Sight, East Hall 5 Booth Number: 5W-23 Teijin/Teijin Frontier Co., Ltd. Event Dates: January 29 (Wednesday) to 31 (Friday), 2025, 10:00 AM to 5:00 PM ■ About the Exhibited Products At this exhibition, we will broadly introduce our newly developed high-performance non-woven fabrics. We will showcase ultra-thin and ultra-light non-woven fabrics, newly developed marine biodegradable PLA, carbon paper, porous high-performance membrane "MiraimⓇ," graphene heat dissipation paint that enhances heat dissipation effects and lowers the temperature of objects, heat dissipation and electromagnetic wave absorption sheets, water treatment technology, oil-water separation technology, and various other new high-performance products. All of our exhibition staff sincerely look forward to your visit.

We will be exhibiting at the "1st [Nagoya] High-Performance Plastics Exhibition -PLASTIC JAPAN-" held at Port Messe Nagoya. We will introduce samples and characteristics of our carbon nanofibers blended with various resins. The conductive carbon nanofiber (high dispersion) ALP-NK1 (550W/mK) has also been added to our product lineup, and we will propose materials tailored to customer needs, starting with heat dissipation applications. Additionally, we will showcase extruded round bars of PEEK blended with carbon nanofibers and their processed products, as well as doctor blades designed for battery materials. As a business model for our nanomaterial business, we offer sales of CNF powder and prototype sales of resin blends (pellets and liquid resins) according to customer requests. Furthermore, we will introduce various silicon materials, including silicon monoxide, which is gaining attention as electrode materials for high-capacity lithium-ion secondary batteries, as well as magnesium balls. We welcome various requests regarding compounds, alloys, purity, particle size, and shapes, so please feel free to stop by our booth for consultation. We sincerely look forward to your visit.

Our company will be exhibiting at the "Fukushima Tech Create 2026 Results Presentation" held in Okuma Town, Fukushima Prefecture. At this event, promising startups aiming for entrepreneurship and technological development in areas such as Hamadori, Fukushima Prefecture, will present their research and business results. ★ Participating Industry Fields Decommissioning / Robotics and Drones / Energy, Environment, and Recycling Agriculture, Forestry, and Fisheries / Medical-related / Aerospace On the 29th (Thursday), a talk event featuring notable figures and local entrepreneurs will also be held. A collection of attention-grabbing technologies that will shape the future will be gathered, so please feel free to stop by the IIDA booth when you visit. [Limited Company Iida Seisakusho Fukushima No. 2 Factory] 〒969-1204 21-2 Mizukami, Nukazawa, Motomiya City, Fukushima Prefecture TEL: 0243-64-2320 FAX: 0243-64-2571

Ito Corporation will be exhibiting at "CPhI Japan" held at Tokyo Big Sight. CPhI Japan (International Pharmaceutical Development Exhibition) is one of the largest international exhibitions in Japan, covering the entire supply chain of the pharmaceutical industry, from new drug development and generic drugs to biopharmaceuticals, manufacturing, and packaging. We will be showcasing the "Gloves for Glove Boxes/Isolators" manufactured by Tron Power. We look forward to your visit.