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  4. Comprehensive computational chemistry system MOE (Molsis Co., Ltd.)

Comprehensive computational chemistry system MOE
Molsis Co., Ltd.

About This Product

■Summary

MOE (Molecular Operating Environment) is an integrated computational chemistry system equipped with SVL (Scientific Vector Language), which was originally developed by CCG of Canada. MOE offers computational chemistry with an easy-to-use interface, a wealth of applications with publicly available source code, an organized molecular database, multi-platform support for Windows/Mac/Linux, multiple usage modes that can be used depending on the purpose, and flexible licensing formats. This software can meet the needs of researchers in a wide range of fields, from researchers to experimental researchers. MOE supports modeling and simulation of various molecular systems such as compounds, peptides, proteins, antibodies, nucleic acids, and synthetic polymers, and provides powerful support for drug discovery modality research.

■Application

It is equipped with various analysis functions such as molecular simulation, chemoinformatics, protein modeling, molecular design based on receptor structure, and pharmacophore analysis. In addition, by linking each function, it is possible to design molecules using a multifaceted approach using ligands and target proteins.

■Data content

It is equipped with molecular structure databases organized by purpose, such as lead-like compounds, molecular fragments, and MOE Project Databases (family protein databases such as antibodies, kinases, and GPCRs). There is no need to spend time collecting and organizing databases, and you can use it for virtual screening immediately after installation.

■Development environment

New features can be developed and customized using the development language. You can also download and use additional publicly available programs. You can build the optimal molecular modeling environment according to the user and research purpose.

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    Comprehensive computational chemistry system MOE

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1 Models of Comprehensive computational chemistry system MOE

Image Part Number Price (excluding tax) Number of consumed tokens Operating environment Graphics Operating environment OS Usage mode

MOE

Available upon quote

MOE: 3 tokens
MOE/batch: 1 token
MOE/web: 1 token or more
MOE/smp: 1 token x number of distributed processing (when using non-graphic mode)

OpenGL
OpenGL,X11

Intel Windows 11/10/8/7 64bit
Intel Linux 64bit
Intel macOS 10.14 or higher
Apple Silicon (M1) macOS 11 or higher

MOE (graphic mode)
MOE/batch (command mode)
MOE/web (web server, SOAP server mode)
MOE/smp (parallel calculation mode)

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About Company Handling This Product

Molsis Co., Ltd.

  • Japan

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Integration Platforms
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Molsis Co., Ltd.

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