80 lines
6.3 KiB
XML
80 lines
6.3 KiB
XML
<?xml version="1.0" encoding="utf-8"?>
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<!--re3data.org Schema for the Description of Research Data Repositories. Version 2.2, December 2014. doi:10.2312/re3.006-->
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<r3d:re3data xmlns:r3d="http://www.re3data.org/schema/2-2" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.re3data.org/schema/2-2 http://schema.re3data.org/2-2/re3dataV2-2.xsd">
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<r3d:repository>
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<r3d:re3data.orgIdentifier>r3d100013959</r3d:re3data.orgIdentifier>
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<r3d:repositoryName language="eng">PSnpBind</r3d:repositoryName>
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<r3d:repositoryURL>https://psnpbind.org</r3d:repositoryURL>
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<r3d:repositoryIdentifier>https://w3id.org/psnpbind</r3d:repositoryIdentifier>
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<r3d:description language="eng">PSnpBind is a large database of protein–ligand complexes covering a wide range of binding pocket mutations and small molecules’ landscape. This database can be used as a source of data for different types of studies, for example, developing machine learning algorithms to predict protein–ligand affinity or mutation's effect on it which requires an extensive amount of data with a wide coverage of mutation types and small molecules. Also, studies of protein-ligand interactions and conformer orientation changes across different mutated versions of a protein can be established using data from PSnpBind.</r3d:description>
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<r3d:repositoryContact>a.ammar@maastrichtuniversity.nl</r3d:repositoryContact>
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<r3d:type>disciplinary</r3d:type>
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<r3d:size updated="2022-08-29">1.1 GB</r3d:size>
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<r3d:startDate>2022-02-28</r3d:startDate>
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<r3d:endDate></r3d:endDate>
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<r3d:repositoryLanguage>eng</r3d:repositoryLanguage>
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<r3d:subject subjectScheme="DFG">2 Life Sciences</r3d:subject>
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<r3d:subject subjectScheme="DFG">201 Basic Biological and Medical Research</r3d:subject>
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<r3d:subject subjectScheme="DFG">20107 Bioinformatics and Theoretical Biology</r3d:subject>
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<r3d:subject subjectScheme="DFG">21 Biology</r3d:subject>
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<r3d:subject subjectScheme="DFG">3 Natural Sciences</r3d:subject>
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<r3d:subject subjectScheme="DFG">301 Molecular Chemistry</r3d:subject>
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<r3d:subject subjectScheme="DFG">31 Chemistry</r3d:subject>
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<r3d:missionStatementURL></r3d:missionStatementURL>
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<r3d:contentType contentTypeScheme="parse">Archived data</r3d:contentType>
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<r3d:contentType contentTypeScheme="parse">Databases</r3d:contentType>
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<r3d:contentType contentTypeScheme="parse">Structured graphics</r3d:contentType>
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<r3d:contentType contentTypeScheme="parse">Structured text</r3d:contentType>
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<r3d:providerType>dataProvider</r3d:providerType>
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<r3d:keyword>AutoDock Vina</r3d:keyword>
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<r3d:keyword>FAIR</r3d:keyword>
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<r3d:keyword>binding affinity</r3d:keyword>
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<r3d:keyword>binding pocket</r3d:keyword>
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<r3d:keyword>mutation effect</r3d:keyword>
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<r3d:keyword>virtual screening</r3d:keyword>
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<r3d:institution>
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<r3d:institutionName language="eng">Maastricht University, Department of Bioinformatics</r3d:institutionName>
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<r3d:institutionAdditionalName language="eng">Maastricht University, BiGCaT</r3d:institutionAdditionalName>
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<r3d:institutionCountry>NLD</r3d:institutionCountry>
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<r3d:responsibilityType>general</r3d:responsibilityType>
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<r3d:institutionType>non-profit</r3d:institutionType>
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<r3d:institutionURL>https://www.maastrichtuniversity.nl/research/bioinformatics</r3d:institutionURL>
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<r3d:responsibilityStartDate></r3d:responsibilityStartDate>
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<r3d:responsibilityEndDate></r3d:responsibilityEndDate>
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<r3d:institutionContact>a.ammar@maastrichtuniversity.nl</r3d:institutionContact>
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</r3d:institution>
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<r3d:policy>
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<r3d:policyName>Open data</r3d:policyName>
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<r3d:policyURL>https://www.openaccess.nl/en/wat-is-open-access/open-data</r3d:policyURL>
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</r3d:policy>
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<r3d:databaseAccess>
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<r3d:databaseAccessType>open</r3d:databaseAccessType>
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</r3d:databaseAccess>
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<r3d:databaseLicense>
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<r3d:databaseLicenseName>CC</r3d:databaseLicenseName>
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<r3d:databaseLicenseURL>https://creativecommons.org/licenses/by/4.0/</r3d:databaseLicenseURL>
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</r3d:databaseLicense>
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<r3d:dataAccess>
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<r3d:dataAccessType>open</r3d:dataAccessType>
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</r3d:dataAccess>
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<r3d:dataLicense>
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<r3d:dataLicenseName>CC</r3d:dataLicenseName>
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<r3d:dataLicenseURL>https://creativecommons.org/licenses/by/4.0/</r3d:dataLicenseURL>
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</r3d:dataLicense>
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<r3d:dataUpload>
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<r3d:dataUploadType>closed</r3d:dataUploadType>
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</r3d:dataUpload>
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<r3d:software>
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<r3d:softwareName>MySQL</r3d:softwareName>
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</r3d:software>
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<r3d:versioning>no</r3d:versioning>
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<r3d:api apiType="REST">https://psnpbind.org/swagger-ui/index.html?configUrl=/v3/api-docs/swagger-config</r3d:api>
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<r3d:pidSystem>other</r3d:pidSystem>
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<r3d:citationGuidelineURL>https://psnpbind.org/citation</r3d:citationGuidelineURL>
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<r3d:enhancedPublication>no</r3d:enhancedPublication>
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<r3d:qualityManagement>unknown</r3d:qualityManagement>
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<r3d:remarks>Download Dataset: https://zenodo.org/record/5112334; GitHub:https://github.com/BiGCAT-UM/psnpbind-webapp</r3d:remarks>
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<r3d:entryDate>2022-08-25</r3d:entryDate>
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<r3d:lastUpdate>2022-09-07</r3d:lastUpdate>
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</r3d:repository>
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</r3d:re3data> |