Methods for determining correlated residues in a protein or other biopolymer using molecular dynamics
The invention provides methods and systems of determining biopolymer profiles and correlations between structural units ( residues) of a biopolymer based on sampling of the conformational space available to the molecule. The correlations between these structural units can further be used to find net...
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creator | MULLEGGER, JOHANNES TAN, POWELL PATRICK CHENG RODINGER, TOMAS LARIO, PAULA I DIXIT, SURJIT B |
description | The invention provides methods and systems of determining biopolymer profiles and correlations between structural units ( residues) of a biopolymer based on sampling of the conformational space available to the molecule. The correlations between these structural units can further be used to find networks within a biopolymer such as the coupled residue networks in a protein. The invention also provides for designing and engineering biopolymers including polypeptides, nucleic acids and carbohydrates using the information derived from the conformation clustering and subsequent methods described herein. |
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The correlations between these structural units can further be used to find networks within a biopolymer such as the coupled residue networks in a protein. The invention also provides for designing and engineering biopolymers including polypeptides, nucleic acids and carbohydrates using the information derived from the conformation clustering and subsequent methods described herein.</description><language>eng</language><subject>BEER ; BIOCHEMISTRY ; CALCULATING ; CHEMISTRY ; COMBINATORIAL CHEMISTRY ; COMPOSITIONS THEREOF ; COMPUTING ; COUNTING ; CULTURE MEDIA ; ELECTRIC DIGITAL DATA PROCESSING ; ENZYMOLOGY ; INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTEDFOR SPECIFIC APPLICATION FIELDS ; INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIRCHEMICAL OR PHYSICAL PROPERTIES ; LIBRARIES, e.g. CHEMICAL LIBRARIES, IN SILICOLIBRARIES ; MEASURING ; METALLURGY ; MICROBIOLOGY ; MICROORGANISMS OR ENZYMES ; MUTATION OR GENETIC ENGINEERING ; ORGANIC CHEMISTRY ; PEPTIDES ; PHYSICS ; PROPAGATING, PRESERVING OR MAINTAINING MICROORGANISMS ; SPIRITS ; TESTING ; VINEGAR ; WINE</subject><creationdate>2014</creationdate><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://worldwide.espacenet.com/publicationDetails/biblio?FT=D&date=20140828&DB=EPODOC&CC=AU&NR=2009211148B2$$EHTML$$P50$$Gepo$$Hfree_for_read</linktohtml><link.rule.ids>230,308,776,881,25542,76289</link.rule.ids><linktorsrc>$$Uhttps://worldwide.espacenet.com/publicationDetails/biblio?FT=D&date=20140828&DB=EPODOC&CC=AU&NR=2009211148B2$$EView_record_in_European_Patent_Office$$FView_record_in_$$GEuropean_Patent_Office$$Hfree_for_read</linktorsrc></links><search><creatorcontrib>MULLEGGER, JOHANNES</creatorcontrib><creatorcontrib>TAN, POWELL PATRICK CHENG</creatorcontrib><creatorcontrib>RODINGER, TOMAS</creatorcontrib><creatorcontrib>LARIO, PAULA I</creatorcontrib><creatorcontrib>DIXIT, SURJIT B</creatorcontrib><title>Methods for determining correlated residues in a protein or other biopolymer using molecular dynamics</title><description>The invention provides methods and systems of determining biopolymer profiles and correlations between structural units ( residues) of a biopolymer based on sampling of the conformational space available to the molecule. 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The invention also provides for designing and engineering biopolymers including polypeptides, nucleic acids and carbohydrates using the information derived from the conformation clustering and subsequent methods described herein.</description><subject>BEER</subject><subject>BIOCHEMISTRY</subject><subject>CALCULATING</subject><subject>CHEMISTRY</subject><subject>COMBINATORIAL CHEMISTRY</subject><subject>COMPOSITIONS THEREOF</subject><subject>COMPUTING</subject><subject>COUNTING</subject><subject>CULTURE MEDIA</subject><subject>ELECTRIC DIGITAL DATA PROCESSING</subject><subject>ENZYMOLOGY</subject><subject>INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTEDFOR SPECIFIC APPLICATION FIELDS</subject><subject>INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIRCHEMICAL OR PHYSICAL PROPERTIES</subject><subject>LIBRARIES, e.g. CHEMICAL LIBRARIES, IN SILICOLIBRARIES</subject><subject>MEASURING</subject><subject>METALLURGY</subject><subject>MICROBIOLOGY</subject><subject>MICROORGANISMS OR ENZYMES</subject><subject>MUTATION OR GENETIC ENGINEERING</subject><subject>ORGANIC CHEMISTRY</subject><subject>PEPTIDES</subject><subject>PHYSICS</subject><subject>PROPAGATING, PRESERVING OR MAINTAINING MICROORGANISMS</subject><subject>SPIRITS</subject><subject>TESTING</subject><subject>VINEGAR</subject><subject>WINE</subject><fulltext>true</fulltext><rsrctype>patent</rsrctype><creationdate>2014</creationdate><recordtype>patent</recordtype><sourceid>EVB</sourceid><recordid>eNqNjDEOwjAQBNNQIOAPV9AiJYECSoJANHRQI2NviCXbZ52dIr_HSDyAaqeY2XmFG_LAJlHPQgYZ4m2w4U2aReBUhiFBsmZEIhtIURTOKFR8zgOEXpYju8kXHNM39eygR6fK4RSUtzotq1mvXMLqt4tqfTnfT9cNIj-RotIIyM_jo63rQ9s0zW7fde32T-0D_plBOA</recordid><startdate>20140828</startdate><enddate>20140828</enddate><creator>MULLEGGER, JOHANNES</creator><creator>TAN, POWELL PATRICK CHENG</creator><creator>RODINGER, TOMAS</creator><creator>LARIO, PAULA I</creator><creator>DIXIT, SURJIT B</creator><scope>EVB</scope></search><sort><creationdate>20140828</creationdate><title>Methods for determining correlated residues in a protein or other biopolymer using molecular dynamics</title><author>MULLEGGER, JOHANNES ; TAN, POWELL PATRICK CHENG ; RODINGER, TOMAS ; LARIO, PAULA I ; DIXIT, SURJIT B</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-epo_espacenet_AU2009211148BB23</frbrgroupid><rsrctype>patents</rsrctype><prefilter>patents</prefilter><language>eng</language><creationdate>2014</creationdate><topic>BEER</topic><topic>BIOCHEMISTRY</topic><topic>CALCULATING</topic><topic>CHEMISTRY</topic><topic>COMBINATORIAL CHEMISTRY</topic><topic>COMPOSITIONS THEREOF</topic><topic>COMPUTING</topic><topic>COUNTING</topic><topic>CULTURE MEDIA</topic><topic>ELECTRIC DIGITAL DATA PROCESSING</topic><topic>ENZYMOLOGY</topic><topic>INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTEDFOR SPECIFIC APPLICATION FIELDS</topic><topic>INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIRCHEMICAL OR PHYSICAL PROPERTIES</topic><topic>LIBRARIES, e.g. CHEMICAL LIBRARIES, IN SILICOLIBRARIES</topic><topic>MEASURING</topic><topic>METALLURGY</topic><topic>MICROBIOLOGY</topic><topic>MICROORGANISMS OR ENZYMES</topic><topic>MUTATION OR GENETIC ENGINEERING</topic><topic>ORGANIC CHEMISTRY</topic><topic>PEPTIDES</topic><topic>PHYSICS</topic><topic>PROPAGATING, PRESERVING OR MAINTAINING MICROORGANISMS</topic><topic>SPIRITS</topic><topic>TESTING</topic><topic>VINEGAR</topic><topic>WINE</topic><toplevel>online_resources</toplevel><creatorcontrib>MULLEGGER, JOHANNES</creatorcontrib><creatorcontrib>TAN, POWELL PATRICK CHENG</creatorcontrib><creatorcontrib>RODINGER, TOMAS</creatorcontrib><creatorcontrib>LARIO, PAULA I</creatorcontrib><creatorcontrib>DIXIT, SURJIT B</creatorcontrib><collection>esp@cenet</collection></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext_linktorsrc</fulltext></delivery><addata><au>MULLEGGER, JOHANNES</au><au>TAN, POWELL PATRICK CHENG</au><au>RODINGER, TOMAS</au><au>LARIO, PAULA I</au><au>DIXIT, SURJIT B</au><format>patent</format><genre>patent</genre><ristype>GEN</ristype><title>Methods for determining correlated residues in a protein or other biopolymer using molecular dynamics</title><date>2014-08-28</date><risdate>2014</risdate><abstract>The invention provides methods and systems of determining biopolymer profiles and correlations between structural units ( residues) of a biopolymer based on sampling of the conformational space available to the molecule. The correlations between these structural units can further be used to find networks within a biopolymer such as the coupled residue networks in a protein. The invention also provides for designing and engineering biopolymers including polypeptides, nucleic acids and carbohydrates using the information derived from the conformation clustering and subsequent methods described herein.</abstract><oa>free_for_read</oa></addata></record> |
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subjects | BEER BIOCHEMISTRY CALCULATING CHEMISTRY COMBINATORIAL CHEMISTRY COMPOSITIONS THEREOF COMPUTING COUNTING CULTURE MEDIA ELECTRIC DIGITAL DATA PROCESSING ENZYMOLOGY INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTEDFOR SPECIFIC APPLICATION FIELDS INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIRCHEMICAL OR PHYSICAL PROPERTIES LIBRARIES, e.g. CHEMICAL LIBRARIES, IN SILICOLIBRARIES MEASURING METALLURGY MICROBIOLOGY MICROORGANISMS OR ENZYMES MUTATION OR GENETIC ENGINEERING ORGANIC CHEMISTRY PEPTIDES PHYSICS PROPAGATING, PRESERVING OR MAINTAINING MICROORGANISMS SPIRITS TESTING VINEGAR WINE |
title | Methods for determining correlated residues in a protein or other biopolymer using molecular dynamics |
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