{"id":"https://openalex.org/W2005203886","doi":"https://doi.org/10.1080/00268976.2011.602649","title":"Hydrogen-bonding studies of amino acid side-chains with DNA base pairs","display_name":"Hydrogen-bonding studies of amino acid side-chains with DNA base pairs","publication_year":2011,"publication_date":"2011-08-09","ids":{"openalex":"https://openalex.org/W2005203886","doi":"https://doi.org/10.1080/00268976.2011.602649","mag":"2005203886"},"language":"en","primary_location":{"id":"doi:10.1080/00268976.2011.602649","doi":"https://doi.org/10.1080/00268976.2011.602649","is_oa":false,"landing_page_url":"https://doi.org/10.1080/00268976.2011.602649","pdf_url":null,"source":{"id":"https://openalex.org/S204809294","display_name":"Molecular Physics","issn_l":"0026-8976","issn":["0026-8976","1362-3028"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","norway-1","poland-70","russia-white-list-3"],"host_organization":"https://openalex.org/P4310320547","host_organization_name":"Taylor & Francis","host_organization_lineage":["https://openalex.org/P4310320547","https://openalex.org/P4310320449"],"host_organization_lineage_names":["Taylor & Francis","Informa"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Molecular Physics","raw_type":"journal-article"},"parent_works":[],"lineage":["https://openalex.org/W2005203886"],"child_works_count":0,"type":"article","is_traditional":true,"indexed_in":["crossref"],"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/A5030140371","display_name":"P. Deepa","orcid":"https://orcid.org/0000-0003-0662-2794","observed_orcids":["https://orcid.org/0000-0003-0662-2794"]},"institutions":[{"id":"https://openalex.org/I111575329","display_name":"Bharathiar University","ror":"https://ror.org/04fht8c22","country_code":"IN","type":"education","lineage":["https://openalex.org/I111575329"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"P. Deepa","raw_affiliation_strings":["Department of Physics, Bharathiar University, Coimbatore 641 046, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physics, Bharathiar University, Coimbatore 641 046, India","institution_ids":["https://openalex.org/I111575329"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5103110228","display_name":"Ponmalai G. Kolandaivel","orcid":"https://orcid.org/0000-0002-8326-767X","observed_orcids":["https://orcid.org/0000-0002-8326-767X"]},"institutions":[{"id":"https://openalex.org/I111575329","display_name":"Bharathiar University","ror":"https://ror.org/04fht8c22","country_code":"IN","type":"education","lineage":["https://openalex.org/I111575329"]}],"countries":["IN"],"is_corresponding":true,"raw_author_name":"P. Kolandaivel","raw_affiliation_strings":["Department of Physics, Bharathiar University, Coimbatore 641 046, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physics, Bharathiar University, Coimbatore 641 046, India","institution_ids":["https://openalex.org/I111575329"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5045464763","display_name":"K. Senthilkumar","orcid":"https://orcid.org/0000-0002-3420-8163","observed_orcids":["https://orcid.org/0000-0002-3420-8163","https://orcid.org/0000-0003-4498-9749"]},"institutions":[{"id":"https://openalex.org/I111575329","display_name":"Bharathiar University","ror":"https://ror.org/04fht8c22","country_code":"IN","type":"education","lineage":["https://openalex.org/I111575329"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"K. Senthilkumar","raw_affiliation_strings":["Department of Physics, Bharathiar University, Coimbatore 641 046, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physics, Bharathiar University, Coimbatore 641 046, India","institution_ids":["https://openalex.org/I111575329"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5103110228"],"corresponding_institution_ids":["https://openalex.org/I111575329"],"apc_list":null,"apc_paid":null,"fwci":0.3129,"has_fulltext":false,"cited_by_count":12,"citation_normalized_percentile":{"value":0.44140982,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":96},"biblio":{"volume":"109","issue":"16","first_page":"1995","last_page":"2008"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10798","display_name":"Crystallography and molecular interactions","score":0.9291999936103821,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10798","display_name":"Crystallography and molecular interactions","score":0.9291999936103821,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10432","display_name":"DNA and Nucleic Acid Chemistry","score":0.04879999905824661,"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/T10002","display_name":"Advanced Chemical Physics Studies","score":0.00430000014603138,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/hydrogen-bonding","display_name":"hydrogen bonding","score":0.8410000205039978},{"id":"https://openalex.org/keywords/dna-base-pairs","display_name":"DNA base pairs","score":0.7960000038146973},{"id":"https://openalex.org/keywords/l-arginine","display_name":"L-arginine","score":0.8090000152587891},{"id":"https://openalex.org/keywords/aspartate","display_name":"aspartic acid","score":0.9729999899864197},{"id":"https://openalex.org/keywords/asparagine","display_name":"asparagine","score":0.9990000128746033},{"id":"https://openalex.org/keywords/lysine","display_name":"lysine","score":1.0},{"id":"https://openalex.org/keywords/serine","display_name":"serine","score":1.0},{"id":"https://openalex.org/keywords/interaction-energy","display_name":"interaction energy","score":0.6650000214576721},{"id":"https://openalex.org/keywords/bader-s-atoms-in-molecules","display_name":"Bader's atoms in molecules","score":0.7059999704360962},{"id":"https://openalex.org/keywords/nbo-analysis","display_name":"natural bond orbital analysis","score":0.9240000247955322},{"id":"https://openalex.org/keywords/charge-transfer","display_name":"charge transfer","score":0.9139999747276306},{"id":"https://openalex.org/keywords/protein-nucleic-acid-complexes","display_name":"protein-nucleic acid complexes","score":0.5979999899864197}],"concepts":[{"id":"https://openalex.org/C130188946","wikidata":"https://www.wikidata.org/wiki/Q4391470","display_name":"Natural bond orbital","level":3,"score":0.8191951513290405},{"id":"https://openalex.org/C112887158","wikidata":"https://www.wikidata.org/wiki/Q169324","display_name":"Hydrogen bond","level":3,"score":0.786662220954895},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.766491174697876},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.6472300887107849},{"id":"https://openalex.org/C95269574","wikidata":"https://www.wikidata.org/wiki/Q1108736","display_name":"Antibonding molecular orbital","level":4,"score":0.5948655009269714},{"id":"https://openalex.org/C155860418","wikidata":"https://www.wikidata.org/wiki/Q863695","display_name":"Bond length","level":3,"score":0.43857431411743164},{"id":"https://openalex.org/C63385615","wikidata":"https://www.wikidata.org/wiki/Q2869600","display_name":"Atoms in molecules","level":3,"score":0.4136941134929657},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.40286463499069214},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.3477674722671509},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.34061306715011597},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.331945538520813},{"id":"https://openalex.org/C189394030","wikidata":"https://www.wikidata.org/wiki/Q53860","display_name":"Atomic orbital","level":3,"score":0.13581117987632751},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.09510537981987},{"id":"https://openalex.org/C115624301","wikidata":"https://www.wikidata.org/wiki/Q895901","display_name":"Crystal structure","level":2,"score":0.0928068459033966},{"id":"https://openalex.org/C147120987","wikidata":"https://www.wikidata.org/wiki/Q2225","display_name":"Electron","level":2,"score":0.06912776827812195},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1080/00268976.2011.602649","doi":"https://doi.org/10.1080/00268976.2011.602649","is_oa":false,"landing_page_url":"https://doi.org/10.1080/00268976.2011.602649","pdf_url":null,"source":{"id":"https://openalex.org/S204809294","display_name":"Molecular Physics","issn_l":"0026-8976","issn":["0026-8976","1362-3028"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","norway-1","poland-70","russia-white-list-3"],"host_organization":"https://openalex.org/P4310320547","host_organization_name":"Taylor & Francis","host_organization_lineage":["https://openalex.org/P4310320547","https://openalex.org/P4310320449"],"host_organization_lineage_names":["Taylor & Francis","Informa"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Molecular Physics","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":38,"referenced_works":["https://openalex.org/W1974464359","https://openalex.org/W1974827970","https://openalex.org/W1976294475","https://openalex.org/W1980034643","https://openalex.org/W1981482769","https://openalex.org/W1984249760","https://openalex.org/W1986586522","https://openalex.org/W1989845461","https://openalex.org/W1993006141","https://openalex.org/W1993031040","https://openalex.org/W1998275943","https://openalex.org/W2007434121","https://openalex.org/W2013711359","https://openalex.org/W2014053367","https://openalex.org/W2022950330","https://openalex.org/W2027060437","https://openalex.org/W2042303986","https://openalex.org/W2042708262","https://openalex.org/W2046788335","https://openalex.org/W2047033234","https://openalex.org/W2048740371","https://openalex.org/W2053931325","https://openalex.org/W2064298638","https://openalex.org/W2073389930","https://openalex.org/W2075369066","https://openalex.org/W2082835279","https://openalex.org/W2086957099","https://openalex.org/W2090360531","https://openalex.org/W2128490831","https://openalex.org/W2130918438","https://openalex.org/W2133335149","https://openalex.org/W2137154596","https://openalex.org/W2148941593","https://openalex.org/W2154856213","https://openalex.org/W2169837652","https://openalex.org/W2331500237","https://openalex.org/W2412533561","https://openalex.org/W2950351129"],"related_works":["https://openalex.org/W2047618635","https://openalex.org/W1999149186","https://openalex.org/W4379615606","https://openalex.org/W3047705109","https://openalex.org/W2128490831","https://openalex.org/W2082308513","https://openalex.org/W2804280299","https://openalex.org/W2077704480","https://openalex.org/W2109811434","https://openalex.org/W3006471520"],"abstract_inverted_index":{"The":[0,30,78,167,215],"interactions":[1,80,109],"of":[2,33,99,113,128,212,225],"the":[3,34,73,87,100,111,114,124,129,144,148,152,158,178,185,191,202,210,213,218,222,226,230],"amino":[4],"acid":[5,10,21],"side-chains":[6],"arginine":[7],"(ARG),":[8],"aspartic":[9],"(ASP),":[11],"asparagine":[12],"(ASN),":[13],"lysine":[14],"(LYS)":[15],"and":[16,52,64,66,104,123,157,163,181,195,204],"serine":[17],"(SER)":[18],"with":[19,110,190],"nucleic":[20],"base":[22,62],"pairs":[23,63],"have":[24,75],"been":[25,76,95],"investigated":[26],"using":[27,234],"theoretical":[28],"methods.":[29],"interaction":[31],"energy":[32,138],"short":[35],"intermolecular":[36],"N\u2013H":[37,40,101,105,115,192,196],"\u00b7\u00b7\u00b7":[38,41,44,47,50,54,102,106,193,197],"N,":[39,48],"O,":[42,45],"O\u2013H":[43,46],"C\u2013H":[49,53],"O":[51,103,198],"N":[55,107,194],"hydrogen":[56,92],"bonds":[57],"present":[58],"in":[59,69,170,201,229],"both":[60],"isolated":[61],"complexes":[65,74,231],"its":[67,182],"role":[68],"providing":[70],"stability":[71,211],"to":[72,83,120,147,221],"explored.":[77],"homonuclear":[79],"are":[81,150],"found":[82],"be":[84],"stronger":[85],"than":[86],"heteronuclear":[88],"interactions.":[89,166],"An":[90],"improper":[91],"bond":[93,116,186,228,236],"has":[94],"observed":[96],"for":[97,177,209],"some":[98],"hydrogen-bond":[108,199],"contraction":[112],"varying":[117],"from":[118,151,217],"0.001":[119],"0.0260":[121],"\u00c5":[122],"corresponding":[125],"blue":[126],"shift":[127],"stretching":[130],"frequency":[131],"by":[132],"4\u2013291":[133],"cm\u22121.":[134],"Localized":[135],"molecular":[136],"orbital":[137,224,237],"decomposition":[139],"analysis":[140],"(LMOEDA)":[141],"reveals":[142],"that":[143],"major":[145],"contributions":[146],"energetics":[149],"long-range":[153],"polarization":[154],"(PL)":[155],"interaction,":[156],"short-range":[159],"attractive":[160],"(ES,":[161],"EX)":[162],"repulsive":[164],"(REP)":[165],"Bader's":[168],"atoms":[169],"molecules":[171],"(AIM)":[172],"theory":[173],"shows":[174],"good":[175],"correlation":[176],"electron":[179],"density":[180],"Laplacian":[183],"at":[184],"critical":[187],"points":[188],"(BCP)":[189],"lengths":[200],"complexes,":[203],"gives":[205],"a":[206],"proper":[207],"explanation":[208],"structure.":[214],"charge-transfer":[216],"proton":[219],"acceptor":[220],"antibonding":[223],"X\u2013H":[227],"was":[232],"studied":[233],"natural":[235],"(NBO)":[238],"analysis.":[239]},"counts_by_year":[{"year":2025,"cited_by_count":2},{"year":2023,"cited_by_count":1},{"year":2020,"cited_by_count":2},{"year":2019,"cited_by_count":1},{"year":2018,"cited_by_count":2},{"year":2017,"cited_by_count":2},{"year":2014,"cited_by_count":2}],"updated_date":"2026-10-30T12:39:25.321706","created_date":"2016-06-24T00:00:00"}