{"id":"https://openalex.org/W2211272170","doi":"https://doi.org/10.1021/ci050422y","title":"SLICK \u2212 Scoring and Energy Functions for Protein\u2212Carbohydrate Interactions","display_name":"SLICK \u2212 Scoring and Energy Functions for Protein\u2212Carbohydrate Interactions","publication_year":2006,"publication_date":"2006-05-20","ids":{"openalex":"https://openalex.org/W2211272170","doi":"https://doi.org/10.1021/ci050422y","mag":"2211272170","pmid":"https://pubmed.ncbi.nlm.nih.gov/16859295"},"language":"en","primary_location":{"id":"doi:10.1021/ci050422y","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci050422y","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5001908770","display_name":"Andreas Kerzmann","orcid":null},"institutions":[{"id":"https://openalex.org/I91712215","display_name":"Saarland University","ror":"https://ror.org/01jdpyv68","country_code":"DE","type":"education","lineage":["https://openalex.org/I91712215"]},{"id":"https://openalex.org/I8087733","display_name":"University of T\u00fcbingen","ror":"https://ror.org/03a1kwz48","country_code":"DE","type":"education","lineage":["https://openalex.org/I8087733"]}],"countries":["DE"],"is_corresponding":true,"raw_author_name":"Andreas Kerzmann","raw_affiliation_strings":["Division for Simulation of Biological Systems, Center for Bioinformatics, University of T\u00fcbingen, Sand 14, 72076 T\u00fcbingen, Germany, and Junior Research Group Drug Transport, Center for Bioinformatics, Saarland University, Building 36.1, 66123 Saarbr\u00fccken, Germany"],"affiliations":[{"raw_affiliation_string":"Division for Simulation of Biological Systems, Center for Bioinformatics, University of T\u00fcbingen, Sand 14, 72076 T\u00fcbingen, Germany, and Junior Research Group Drug Transport, Center for Bioinformatics, Saarland University, Building 36.1, 66123 Saarbr\u00fccken, Germany","institution_ids":["https://openalex.org/I91712215","https://openalex.org/I8087733"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5064008689","display_name":"Dirk Neumann","orcid":"https://orcid.org/0000-0003-2178-3705"},"institutions":[{"id":"https://openalex.org/I8087733","display_name":"University of T\u00fcbingen","ror":"https://ror.org/03a1kwz48","country_code":"DE","type":"education","lineage":["https://openalex.org/I8087733"]},{"id":"https://openalex.org/I91712215","display_name":"Saarland University","ror":"https://ror.org/01jdpyv68","country_code":"DE","type":"education","lineage":["https://openalex.org/I91712215"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Dirk Neumann","raw_affiliation_strings":["Division for Simulation of Biological Systems, Center for Bioinformatics, University of T\u00fcbingen, Sand 14, 72076 T\u00fcbingen, Germany, and Junior Research Group Drug Transport, Center for Bioinformatics, Saarland University, Building 36.1, 66123 Saarbr\u00fccken, Germany"],"affiliations":[{"raw_affiliation_string":"Division for Simulation of Biological Systems, Center for Bioinformatics, University of T\u00fcbingen, Sand 14, 72076 T\u00fcbingen, Germany, and Junior Research Group Drug Transport, Center for Bioinformatics, Saarland University, Building 36.1, 66123 Saarbr\u00fccken, Germany","institution_ids":["https://openalex.org/I91712215","https://openalex.org/I8087733"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5053621010","display_name":"Oliver Kohlbacher","orcid":"https://orcid.org/0000-0003-1739-4598"},"institutions":[{"id":"https://openalex.org/I8087733","display_name":"University of T\u00fcbingen","ror":"https://ror.org/03a1kwz48","country_code":"DE","type":"education","lineage":["https://openalex.org/I8087733"]},{"id":"https://openalex.org/I91712215","display_name":"Saarland University","ror":"https://ror.org/01jdpyv68","country_code":"DE","type":"education","lineage":["https://openalex.org/I91712215"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Oliver Kohlbacher","raw_affiliation_strings":["Division for Simulation of Biological Systems, Center for Bioinformatics, University of T\u00fcbingen, Sand 14, 72076 T\u00fcbingen, Germany, and Junior Research Group Drug Transport, Center for Bioinformatics, Saarland University, Building 36.1, 66123 Saarbr\u00fccken, Germany"],"affiliations":[{"raw_affiliation_string":"Division for Simulation of Biological Systems, Center for Bioinformatics, University of T\u00fcbingen, Sand 14, 72076 T\u00fcbingen, Germany, and Junior Research Group Drug Transport, Center for Bioinformatics, Saarland University, Building 36.1, 66123 Saarbr\u00fccken, Germany","institution_ids":["https://openalex.org/I91712215","https://openalex.org/I8087733"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5001908770"],"corresponding_institution_ids":["https://openalex.org/I8087733","https://openalex.org/I91712215"],"apc_list":null,"apc_paid":null,"fwci":2.0606,"has_fulltext":false,"cited_by_count":46,"citation_normalized_percentile":{"value":0.86899762,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":"46","issue":"4","first_page":"1635","last_page":"1642"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11162","display_name":"Enzyme Structure and Function","score":0.9995999932289124,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11162","display_name":"Enzyme Structure and Function","score":0.9995999932289124,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9991000294685364,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T12489","display_name":"Microbial Metabolites in Food Biotechnology","score":0.9911999702453613,"subfield":{"id":"https://openalex.org/subfields/2916","display_name":"Nutrition and Dietetics"},"field":{"id":"https://openalex.org/fields/29","display_name":"Nursing"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/van-der-waals-force","display_name":"van der Waals force","score":0.6882597208023071},{"id":"https://openalex.org/keywords/solvation","display_name":"Solvation","score":0.5926734805107117},{"id":"https://openalex.org/keywords/electrostatics","display_name":"Electrostatics","score":0.5617893934249878},{"id":"https://openalex.org/keywords/hydrogen-bond","display_name":"Hydrogen bond","score":0.5405948758125305},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.5075079798698425},{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.4828799068927765},{"id":"https://openalex.org/keywords/wannier-function","display_name":"Wannier function","score":0.481789767742157},{"id":"https://openalex.org/keywords/binding-energy","display_name":"Binding energy","score":0.44886553287506104},{"id":"https://openalex.org/keywords/chemical-physics","display_name":"Chemical physics","score":0.4296649396419525},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.419467955827713},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.3910491168498993},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.321283221244812},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.2709544897079468},{"id":"https://openalex.org/keywords/physical-chemistry","display_name":"Physical chemistry","score":0.1533544361591339},{"id":"https://openalex.org/keywords/atomic-physics","display_name":"Atomic physics","score":0.11419850587844849},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.0974721908569336}],"concepts":[{"id":"https://openalex.org/C126061179","wikidata":"https://www.wikidata.org/wiki/Q189627","display_name":"van der Waals force","level":3,"score":0.6882597208023071},{"id":"https://openalex.org/C148093993","wikidata":"https://www.wikidata.org/wiki/Q739398","display_name":"Solvation","level":3,"score":0.5926734805107117},{"id":"https://openalex.org/C117626034","wikidata":"https://www.wikidata.org/wiki/Q26336","display_name":"Electrostatics","level":2,"score":0.5617893934249878},{"id":"https://openalex.org/C112887158","wikidata":"https://www.wikidata.org/wiki/Q169324","display_name":"Hydrogen bond","level":3,"score":0.5405948758125305},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5075079798698425},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.4828799068927765},{"id":"https://openalex.org/C14022793","wikidata":"https://www.wikidata.org/wiki/Q1152058","display_name":"Wannier function","level":2,"score":0.481789767742157},{"id":"https://openalex.org/C93282013","wikidata":"https://www.wikidata.org/wiki/Q420754","display_name":"Binding energy","level":2,"score":0.44886553287506104},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.4296649396419525},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.419467955827713},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.3910491168498993},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.321283221244812},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.2709544897079468},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.1533544361591339},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.11419850587844849},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0974721908569336},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D002138","descriptor_name":"Calibration","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002138","descriptor_name":"Calibration","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002138","descriptor_name":"Calibration","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002241","descriptor_name":"Carbohydrates","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D002241","descriptor_name":"Carbohydrates","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D002241","descriptor_name":"Carbohydrates","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D003460","descriptor_name":"Crystallization","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003460","descriptor_name":"Crystallization","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003460","descriptor_name":"Crystallization","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006860","descriptor_name":"Hydrogen Bonding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006860","descriptor_name":"Hydrogen Bonding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006860","descriptor_name":"Hydrogen Bonding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055672","descriptor_name":"Static Electricity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055672","descriptor_name":"Static Electricity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055672","descriptor_name":"Static Electricity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1021/ci050422y","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci050422y","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:16859295","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/16859295","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of chemical information and modeling","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Affordable and clean energy","score":0.8700000047683716,"id":"https://metadata.un.org/sdg/7"}],"awards":[],"funders":[{"id":"https://openalex.org/F4320320879","display_name":"Deutsche Forschungsgemeinschaft","ror":"https://ror.org/018mejw64"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":28,"referenced_works":["https://openalex.org/W1496433513","https://openalex.org/W1545473785","https://openalex.org/W1605578858","https://openalex.org/W1965761289","https://openalex.org/W1980427739","https://openalex.org/W1995450392","https://openalex.org/W2012519948","https://openalex.org/W2022950330","https://openalex.org/W2032518125","https://openalex.org/W2041933909","https://openalex.org/W2050456292","https://openalex.org/W2056043668","https://openalex.org/W2063013932","https://openalex.org/W2065756075","https://openalex.org/W2075369230","https://openalex.org/W2079919462","https://openalex.org/W2108093856","https://openalex.org/W2113564695","https://openalex.org/W2114779636","https://openalex.org/W2114819818","https://openalex.org/W2119894792","https://openalex.org/W2122199548","https://openalex.org/W2130479394","https://openalex.org/W2134821124","https://openalex.org/W2158534713","https://openalex.org/W2166211977","https://openalex.org/W2167041509","https://openalex.org/W2514943076"],"related_works":["https://openalex.org/W2612923653","https://openalex.org/W1644314500","https://openalex.org/W2067207114","https://openalex.org/W2819161585","https://openalex.org/W3102099582","https://openalex.org/W1992043237","https://openalex.org/W2035102369","https://openalex.org/W46963615","https://openalex.org/W2055303365","https://openalex.org/W2004292139"],"abstract_inverted_index":{"Protein-carbohydrate":[0],"interactions":[1],"are":[2],"increasingly":[3],"being":[4,78],"recognized":[5],"as":[6,22,24,131],"essential":[7],"for":[8,63,87],"many":[9],"important":[10],"biomolecular":[11],"recognition":[12],"processes.":[13],"From":[14],"these,":[15],"numerous":[16],"biomedical":[17],"applications":[18],"arise":[19],"in":[20],"areas":[21],"diverse":[23],"drug":[25,29],"design,":[26],"immunology,":[27],"or":[28],"transport.":[30],"We":[31,110],"introduce":[32],"SLICK,":[33],"a":[34,37,79,95],"package":[35,137],"containing":[36],"scoring":[38],"and":[39,51,56,73],"an":[40],"energy":[41,90],"function,":[42],"which":[43],"were":[44,92],"specifically":[45],"designed":[46],"to":[47,59],"predict":[48],"binding":[49,107,116],"modes":[50],"free":[52,108,117],"energies":[53,118],"of":[54,82,97,101,119,133],"sugars":[55],"sugarlike":[57],"compounds":[58],"proteins.":[60],"SLICK":[61,113,128],"accounts":[62],"van":[64],"der":[65],"Waals":[66],"interactions,":[67,75],"solvation":[68],"effects,":[69],"electrostatics,":[70],"hydrogen":[71],"bonds,":[72],"CH...pi":[74],"the":[76,88,115],"latter":[77],"particular":[80],"feature":[81],"most":[83],"protein-carbohydrate":[84],"interactions.":[85],"Parameters":[86],"empirical":[89],"function":[91],"calibrated":[93],"on":[94],"set":[96],"high-resolution":[98],"crystal":[99],"structures":[100],"protein-sugar":[102],"complexes":[103,121],"with":[104,125],"known":[105],"experimental":[106],"energies.":[109],"show":[111],"that":[112],"predicts":[114],"predicted":[120],"(through":[122],"molecular":[123,135],"docking)":[124],"high":[126],"accuracy.":[127],"is":[129],"available":[130],"part":[132],"our":[134],"modeling":[136],"BALL":[138],"(www.ball-project.org).":[139]},"counts_by_year":[{"year":2025,"cited_by_count":2},{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":7},{"year":2020,"cited_by_count":2},{"year":2019,"cited_by_count":2},{"year":2018,"cited_by_count":1},{"year":2016,"cited_by_count":3},{"year":2015,"cited_by_count":3},{"year":2014,"cited_by_count":5},{"year":2013,"cited_by_count":1},{"year":2012,"cited_by_count":2}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}