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DescriptionmyPresto 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.
Main Institutes of managementMolecular Profiling Research Center for Drug Discovery (molprof), National Institute of Advanced Industrial Science and Technology (AIST)
Country of the InstituteJapan
URL of the sitehttp://presto.protein.osaka-u.ac.jp/myPresto4/index_e.html
Input exampleExample of the execution method when the path is not set. % ../bin/sievgene
Keywordmolecular simulation system | structure-guided molecular development
Amount of the all data for download(Mbyte) | Method to obtain the all data.-
External resources (databases) in building the product.KEGG
Data typeProtein-structure
Biological species in the main concernAll species
Conditions of useAttribution&Share Alikeasignment
Frequency of updates (in last two years)Three times for a year.
Last date of updates (date of confirmation)2019/04/22 (2019/07/09)
Main IDs used in the products-
How to make a link to get access to each IDs.None
external databases to which this database/tool have linksKEGG (http://www.genome.jp/kegg/drug/)
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.
Operational StatusAvailable