More information XML output

Name myPresto
Aliases None
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.

Type Tool
Main Institutes of management Biomedicinal Information Research Center (BIRC), National Institute of Advanced Industrial Science and Technology (AIST)
Country of the Institute Japan
URL of the site http://presto.protein.osaka-u.ac.jp/myPresto4/index_e.html
Interface GUI
Input example

Under investigation

Keyword
molecular simulation system | structure-guided molecular development
Amount of the all data for download(Mbyte) | Method to obtain the all data. 3566 | Download from the page http://medals.jp/contents/download
External resources (databases) in building the product. KEGG
Data type Protein-structure
Biological species in the main concern
All species
Conditions of use Attribution&Share Alike asignment
Frequency of updates (in last two years) Three times for a year.
Last date of updates (date of confirmation) 2011/10/26 (2011/12/08)
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 links

KEGG (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.

Archives
myPresto

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Project name Structural Proteomics Project
Area Under investigation
Purpose Under investigation
Introduction Under investigation
Keyword Under investigation
Patent (Japan, overseas) Under investigation
Product (Database, Tool) Nothing