{"id":"https://openalex.org/W2074979229","doi":"https://doi.org/10.1002/(sici)1096-987x(19970715)18:9<1245::aid-jcc12>3.0.co;2-4","title":"Strength of hydrogen bonds in ? helices","display_name":"Strength of hydrogen bonds in ? helices","publication_year":1997,"publication_date":"1997-07-15","ids":{"openalex":"https://openalex.org/W2074979229","doi":"https://doi.org/10.1002/(sici)1096-987x(19970715)18:9<1245::aid-jcc12>3.0.co;2-4","mag":"2074979229"},"language":"en","primary_location":{"id":"doi:10.1002/(sici)1096-987x(19970715)18:9<1245::aid-jcc12>3.0.co;2-4","is_oa":false,"landing_page_url":"https://doi.org/10.1002/(sici)1096-987x(19970715)18:9<1245::aid-jcc12>3.0.co;2-4","pdf_url":null,"source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Chemistry","raw_type":"journal-article"},"type":"article","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/A5089267565","display_name":"Nidhi Arora","orcid":"https://orcid.org/0009-0009-6413-8432"},"institutions":[{"id":"https://openalex.org/I68891433","display_name":"Indian Institute of Technology Delhi","ror":"https://ror.org/049tgcd06","country_code":"IN","type":"education","lineage":["https://openalex.org/I68891433"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Nidhi Arora","raw_affiliation_strings":["Department of Chemistry, Indian Institute of Technology, Hauz Khas, New Delhi 110 016, India"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Indian Institute of Technology, Hauz Khas, New Delhi 110 016, India","institution_ids":["https://openalex.org/I68891433"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5043437093","display_name":"B. Jayaram","orcid":"https://orcid.org/0000-0002-5495-2213"},"institutions":[{"id":"https://openalex.org/I68891433","display_name":"Indian Institute of Technology Delhi","ror":"https://ror.org/049tgcd06","country_code":"IN","type":"education","lineage":["https://openalex.org/I68891433"]}],"countries":["IN"],"is_corresponding":true,"raw_author_name":"B. Jayaram","raw_affiliation_strings":["Department of Chemistry, Indian Institute of Technology, Hauz Khas, New Delhi 110 016, India"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Indian Institute of Technology, Hauz Khas, New Delhi 110 016, India","institution_ids":["https://openalex.org/I68891433"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5043437093"],"corresponding_institution_ids":["https://openalex.org/I68891433"],"apc_list":{"value":4840,"currency":"USD","value_usd":4840},"apc_paid":null,"fwci":1.3185,"has_fulltext":false,"cited_by_count":48,"citation_normalized_percentile":{"value":0.80704243,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":"18","issue":"9","first_page":"1245","last_page":"1252"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"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"}},"topics":[{"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/T10432","display_name":"DNA and Nucleic Acid Chemistry","score":0.9984999895095825,"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/T11162","display_name":"Enzyme Structure and Function","score":0.9932000041007996,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/intramolecular-force","display_name":"Intramolecular force","score":0.8372896909713745},{"id":"https://openalex.org/keywords/hydrogen-bond","display_name":"Hydrogen bond","score":0.7988535761833191},{"id":"https://openalex.org/keywords/biomolecule","display_name":"Biomolecule","score":0.6775960922241211},{"id":"https://openalex.org/keywords/aqueous-solution","display_name":"Aqueous solution","score":0.6218116283416748},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.5475814938545227},{"id":"https://openalex.org/keywords/force-field","display_name":"Force field (fiction)","score":0.5332118272781372},{"id":"https://openalex.org/keywords/opls","display_name":"OPLS","score":0.5111995339393616},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.48635178804397583},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.4575260579586029},{"id":"https://openalex.org/keywords/helix","display_name":"Helix (gastropod)","score":0.44931453466415405},{"id":"https://openalex.org/keywords/electrostatics","display_name":"Electrostatics","score":0.42022383213043213},{"id":"https://openalex.org/keywords/thermodynamics","display_name":"Thermodynamics","score":0.3878977298736572},{"id":"https://openalex.org/keywords/chemical-physics","display_name":"Chemical physics","score":0.34116268157958984},{"id":"https://openalex.org/keywords/physical-chemistry","display_name":"Physical chemistry","score":0.29961884021759033},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.1507839858531952},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.13841482996940613},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.08196038007736206}],"concepts":[{"id":"https://openalex.org/C75079739","wikidata":"https://www.wikidata.org/wiki/Q1571801","display_name":"Intramolecular force","level":2,"score":0.8372896909713745},{"id":"https://openalex.org/C112887158","wikidata":"https://www.wikidata.org/wiki/Q169324","display_name":"Hydrogen bond","level":3,"score":0.7988535761833191},{"id":"https://openalex.org/C49853544","wikidata":"https://www.wikidata.org/wiki/Q206229","display_name":"Biomolecule","level":2,"score":0.6775960922241211},{"id":"https://openalex.org/C184651966","wikidata":"https://www.wikidata.org/wiki/Q906356","display_name":"Aqueous solution","level":2,"score":0.6218116283416748},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5475814938545227},{"id":"https://openalex.org/C10803110","wikidata":"https://www.wikidata.org/wiki/Q1341441","display_name":"Force field (fiction)","level":2,"score":0.5332118272781372},{"id":"https://openalex.org/C38660458","wikidata":"https://www.wikidata.org/wiki/Q7072834","display_name":"OPLS","level":4,"score":0.5111995339393616},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.48635178804397583},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.4575260579586029},{"id":"https://openalex.org/C2778530040","wikidata":"https://www.wikidata.org/wiki/Q1937315","display_name":"Helix (gastropod)","level":3,"score":0.44931453466415405},{"id":"https://openalex.org/C117626034","wikidata":"https://www.wikidata.org/wiki/Q26336","display_name":"Electrostatics","level":2,"score":0.42022383213043213},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.3878977298736572},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.34116268157958984},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.29961884021759033},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.1507839858531952},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.13841482996940613},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.08196038007736206},{"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/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0},{"id":"https://openalex.org/C18903297","wikidata":"https://www.wikidata.org/wiki/Q7150","display_name":"Ecology","level":1,"score":0.0},{"id":"https://openalex.org/C2779965526","wikidata":"https://www.wikidata.org/wiki/Q308841","display_name":"Snail","level":2,"score":0.0},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1002/(sici)1096-987x(19970715)18:9<1245::aid-jcc12>3.0.co;2-4","is_oa":false,"landing_page_url":"https://doi.org/10.1002/(sici)1096-987x(19970715)18:9<1245::aid-jcc12>3.0.co;2-4","pdf_url":null,"source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Chemistry","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.7200000286102295,"id":"https://metadata.un.org/sdg/6","display_name":"Clean water and sanitation"}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":33,"referenced_works":["https://openalex.org/W1931164952","https://openalex.org/W1966851556","https://openalex.org/W1970951084","https://openalex.org/W1971251199","https://openalex.org/W1972685072","https://openalex.org/W1978853657","https://openalex.org/W1980776518","https://openalex.org/W1995765071","https://openalex.org/W2002957214","https://openalex.org/W2003955698","https://openalex.org/W2010743172","https://openalex.org/W2018922109","https://openalex.org/W2021350329","https://openalex.org/W2021534482","https://openalex.org/W2034430535","https://openalex.org/W2041189078","https://openalex.org/W2045979429","https://openalex.org/W2048044886","https://openalex.org/W2053430992","https://openalex.org/W2070783701","https://openalex.org/W2077421343","https://openalex.org/W2079589162","https://openalex.org/W2092598726","https://openalex.org/W2109284125","https://openalex.org/W2113443707","https://openalex.org/W2122199548","https://openalex.org/W2138854816","https://openalex.org/W2140992384","https://openalex.org/W2162166182","https://openalex.org/W2319593726","https://openalex.org/W2326635028","https://openalex.org/W4205669956","https://openalex.org/W4243207996"],"related_works":["https://openalex.org/W2024080746","https://openalex.org/W2910949922","https://openalex.org/W2010568061","https://openalex.org/W2003031829","https://openalex.org/W1234341952","https://openalex.org/W2004174976","https://openalex.org/W2981097256","https://openalex.org/W4245214064","https://openalex.org/W2790799920","https://openalex.org/W2046143098"],"abstract_inverted_index":{"The":[0,47,85],"intramolecular":[1],"helix":[2,86],"backbone":[3,87],">C(DOUBLE":[4],"BOND)O---H\u2014N<":[5],"hydrogen":[6],"bonding":[7],"energies":[8,89],"in":[9,17,20,54,81],"poly(L-alanine)":[10],"\u03b1":[11],"helices":[12],"have":[13,64],"been":[14,65],"estimated":[15],"both":[16],"vacuum":[18],"and":[19,45],"an":[21,82],"aqueous":[22,83],"environment":[23],"using":[24],"the":[25,31,56,74,99],"parameter":[26],"sets":[27],"of":[28,30,50,76,79],"five":[29],"most":[32],"commonly":[33],"used":[34],"force":[35,52],"fields":[36,53],"for":[37,73],"modeling":[38],"biomolecules,":[39],"namely":[40],"AMBER,":[41],"CHARMM,":[42],"ECEPP,":[43],"GROMOS,":[44],"OPLS.":[46],"relative":[48],"capabilities":[49],"these":[51],"describing":[55],"H-bonding":[57,88],"interactions":[58,78],"with":[59,98],"different":[60],"dielectric":[61],"continuum":[62],"models":[63],"assessed.":[66],"A":[67],"modified":[68],"Hingerty\u2013Lavery":[69],"function":[70,93],"is":[71],"proposed":[72],"treatment":[75],"electrostatic":[77],"biomolecules":[80],"environment.":[84],"predicted":[90],"by":[91],"this":[92],"(\u223c\u22121":[94],"kcal/mol)":[95],"correspond":[96],"closely":[97],"experiment.":[100],"\u00a9":[101],"1997":[102],"John":[103],"Wiley":[104],"&":[105],"Sons,":[106],"Inc.":[107],"J":[108],"Comput":[109],"Chem":[110],"18:":[111],"1245\u20131252":[112]},"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":1},{"year":2018,"cited_by_count":2},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":2},{"year":2014,"cited_by_count":2},{"year":2013,"cited_by_count":5},{"year":2012,"cited_by_count":2}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
