| Name | myPresto |
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| Aliases | None |
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| Description | myPresto is a molecular simulation system for structure-guided molecular development. myPresto consists of about 50 programs and databases. Namely, molecular dynamics simulation for proteins/DNA, protein-compound docking software, in-silico screening programs, conformer generator, file converting tools, and etc.For in-silico screening, chemical compound database is necessary. The compound database is available from BIRC/AIST.You can down load myPresto without charge from the web site of MEDALS and Laboratory of Protein Informatics, Research Center for Structural and Functional Proteomics, Institute for Protein Research, Osaka University. |
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| Type | Tool |
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| Main Institutes of management | Molecular Profiling Research Center for Drug Discovery (molprof), National Institute of Advanced Industrial Science and Technology (AIST) |
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| Country of the Institute | Japan |
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| URL of the site | http://presto.protein.osaka-u.ac.jp/myPresto4/index_e.html |
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| Interface | GUI |
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| Input | |
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| Output | |
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| Input example | Example of the execution method when the path is not set. % ../bin/sievgene |
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| Keyword | molecular simulation system | structure-guided molecular development |
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| Amount of the all data for download（Mbyte） | Method to obtain the all data. | - |
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| External resources (databases) in building the product. | KEGG |
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| Data type | Protein-structure |
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| Biological species in the main concern | All species |
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| Conditions of use | Attribution&Share Alikeasignment |
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| Frequency of updates (in last two years) | Three times for a year. |
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| Last date of updates (date of confirmation) | 2019/04/22 (2019/07/09) |
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| Main IDs used in the products | - |
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| How to make a link to get access to each IDs. | None |
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| external databases to which this database/tool have links | KEGG (http://www.genome.jp/kegg/drug/) |
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| Published papers (PubMed IDs) | The filling potential method: A method for estimating the free energy surface for protein-ligand docking", Yoshifumi Fukunishi, Yoshiaki Mikami, and Haruki Nakamura, J. Phys. Chem. B. (2003) 107, 13201-13210. |
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| Operational Status | Available |
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