{"id":"https://openalex.org/W2034031262","doi":"https://doi.org/10.1007/s10822-014-9755-x","title":"Temperature effect on poly(dA).poly(dT): molecular dynamics simulation studies of polymeric and oligomeric constructs","display_name":"Temperature effect on poly(dA).poly(dT): molecular dynamics simulation studies of polymeric and oligomeric constructs","publication_year":2014,"publication_date":"2014-05-27","ids":{"openalex":"https://openalex.org/W2034031262","doi":"https://doi.org/10.1007/s10822-014-9755-x","mag":"2034031262","pmid":"https://pubmed.ncbi.nlm.nih.gov/24865848"},"language":"en","primary_location":{"id":"doi:10.1007/s10822-014-9755-x","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-014-9755-x","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","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/A5081688521","display_name":"Sanchita Mukherjee","orcid":"https://orcid.org/0000-0002-2932-2834"},"institutions":[{"id":"https://openalex.org/I16019930","display_name":"Saha Institute of Nuclear Physics","ror":"https://ror.org/0491yz035","country_code":"IN","type":"facility","lineage":["https://openalex.org/I16019930"]}],"countries":["IN"],"is_corresponding":true,"raw_author_name":"Sanchita Mukherjee","raw_affiliation_strings":["Computational Science Division, Saha Institute of Nuclear Physics, 1/AF Bidhannagar, Kolkata, 700064, India","Saha Institute of Nuclear Physics"],"affiliations":[{"raw_affiliation_string":"Computational Science Division, Saha Institute of Nuclear Physics, 1/AF Bidhannagar, Kolkata, 700064, India","institution_ids":["https://openalex.org/I16019930"]},{"raw_affiliation_string":"Saha Institute of Nuclear Physics","institution_ids":["https://openalex.org/I16019930"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5103463135","display_name":"Sangeeta Kundu","orcid":null},"institutions":[{"id":"https://openalex.org/I16019930","display_name":"Saha Institute of Nuclear Physics","ror":"https://ror.org/0491yz035","country_code":"IN","type":"facility","lineage":["https://openalex.org/I16019930"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Sangeeta Kundu","raw_affiliation_strings":["Computational Science Division, Saha Institute of Nuclear Physics, 1/AF Bidhannagar, Kolkata, 700064, India","Saha Institute of Nuclear Physics"],"affiliations":[{"raw_affiliation_string":"Computational Science Division, Saha Institute of Nuclear Physics, 1/AF Bidhannagar, Kolkata, 700064, India","institution_ids":["https://openalex.org/I16019930"]},{"raw_affiliation_string":"Saha Institute of Nuclear Physics","institution_ids":["https://openalex.org/I16019930"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5051389777","display_name":"Dhananjay Bhattacharyya","orcid":"https://orcid.org/0000-0001-9227-6490"},"institutions":[{"id":"https://openalex.org/I16019930","display_name":"Saha Institute of Nuclear Physics","ror":"https://ror.org/0491yz035","country_code":"IN","type":"facility","lineage":["https://openalex.org/I16019930"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Dhananjay Bhattacharyya","raw_affiliation_strings":["Computational Science Division, Saha Institute of Nuclear Physics, 1/AF Bidhannagar, Kolkata, 700064, India","Saha Institute of Nuclear Physics"],"affiliations":[{"raw_affiliation_string":"Computational Science Division, Saha Institute of Nuclear Physics, 1/AF Bidhannagar, Kolkata, 700064, India","institution_ids":["https://openalex.org/I16019930"]},{"raw_affiliation_string":"Saha Institute of Nuclear Physics","institution_ids":["https://openalex.org/I16019930"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5081688521"],"corresponding_institution_ids":["https://openalex.org/I16019930"],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":null,"fwci":1.1351,"has_fulltext":false,"cited_by_count":6,"citation_normalized_percentile":{"value":0.75391856,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":96},"biblio":{"volume":"28","issue":"7","first_page":"735","last_page":"749"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10389","display_name":"Polymer crystallization and properties","score":0.9975000023841858,"subfield":{"id":"https://openalex.org/subfields/2507","display_name":"Polymers and Plastics"},"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/T10389","display_name":"Polymer crystallization and properties","score":0.9975000023841858,"subfield":{"id":"https://openalex.org/subfields/2507","display_name":"Polymers and Plastics"},"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/T11664","display_name":"Fiber-reinforced polymer composites","score":0.9684000015258789,"subfield":{"id":"https://openalex.org/subfields/2210","display_name":"Mechanical Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10074","display_name":"Carbon Nanotubes in Composites","score":0.9639999866485596,"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/hydrogen-bond","display_name":"Hydrogen bond","score":0.691885769367218},{"id":"https://openalex.org/keywords/oligomer","display_name":"Oligomer","score":0.66801917552948},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.6447394490242004},{"id":"https://openalex.org/keywords/counterion","display_name":"Counterion","score":0.6100218296051025},{"id":"https://openalex.org/keywords/oligonucleotide","display_name":"Oligonucleotide","score":0.6095409393310547},{"id":"https://openalex.org/keywords/polymer","display_name":"Polymer","score":0.6076231598854065},{"id":"https://openalex.org/keywords/crystallography","display_name":"Crystallography","score":0.5522600412368774},{"id":"https://openalex.org/keywords/materials-science","display_name":"Materials science","score":0.5364511609077454},{"id":"https://openalex.org/keywords/stacking","display_name":"Stacking","score":0.5220798850059509},{"id":"https://openalex.org/keywords/duplex","display_name":"Duplex (building)","score":0.5091473460197449},{"id":"https://openalex.org/keywords/dna","display_name":"DNA","score":0.46250009536743164},{"id":"https://openalex.org/keywords/melting-point","display_name":"Melting point","score":0.43857455253601074},{"id":"https://openalex.org/keywords/polymer-chemistry","display_name":"Polymer chemistry","score":0.3756830096244812},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.3458751440048218},{"id":"https://openalex.org/keywords/ion","display_name":"Ion","score":0.2928861677646637},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.26424041390419006},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.18713977932929993},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.10674908757209778}],"concepts":[{"id":"https://openalex.org/C112887158","wikidata":"https://www.wikidata.org/wiki/Q169324","display_name":"Hydrogen bond","level":3,"score":0.691885769367218},{"id":"https://openalex.org/C2780642029","wikidata":"https://www.wikidata.org/wiki/Q726004","display_name":"Oligomer","level":2,"score":0.66801917552948},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.6447394490242004},{"id":"https://openalex.org/C34814092","wikidata":"https://www.wikidata.org/wiki/Q2268418","display_name":"Counterion","level":3,"score":0.6100218296051025},{"id":"https://openalex.org/C129312508","wikidata":"https://www.wikidata.org/wiki/Q133686","display_name":"Oligonucleotide","level":3,"score":0.6095409393310547},{"id":"https://openalex.org/C521977710","wikidata":"https://www.wikidata.org/wiki/Q81163","display_name":"Polymer","level":2,"score":0.6076231598854065},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.5522600412368774},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.5364511609077454},{"id":"https://openalex.org/C33347731","wikidata":"https://www.wikidata.org/wiki/Q285210","display_name":"Stacking","level":2,"score":0.5220798850059509},{"id":"https://openalex.org/C99611785","wikidata":"https://www.wikidata.org/wiki/Q6453233","display_name":"Duplex (building)","level":3,"score":0.5091473460197449},{"id":"https://openalex.org/C552990157","wikidata":"https://www.wikidata.org/wiki/Q7430","display_name":"DNA","level":2,"score":0.46250009536743164},{"id":"https://openalex.org/C13530604","wikidata":"https://www.wikidata.org/wiki/Q15318","display_name":"Melting point","level":2,"score":0.43857455253601074},{"id":"https://openalex.org/C188027245","wikidata":"https://www.wikidata.org/wiki/Q750446","display_name":"Polymer chemistry","level":1,"score":0.3756830096244812},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3458751440048218},{"id":"https://openalex.org/C145148216","wikidata":"https://www.wikidata.org/wiki/Q36496","display_name":"Ion","level":2,"score":0.2928861677646637},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.26424041390419006},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.18713977932929993},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.10674908757209778},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0},{"id":"https://openalex.org/C159985019","wikidata":"https://www.wikidata.org/wiki/Q181790","display_name":"Composite material","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D004247","descriptor_name":"DNA","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004247","descriptor_name":"DNA","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004247","descriptor_name":"DNA","qualifier_ui":"Q000737","qualifier_name":"chemistry","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":"D009841","descriptor_name":"Oligonucleotides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D009841","descriptor_name":"Oligonucleotides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D009841","descriptor_name":"Oligonucleotides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011067","descriptor_name":"Poly dA-dT","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011067","descriptor_name":"Poly dA-dT","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011067","descriptor_name":"Poly dA-dT","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011108","descriptor_name":"Polymers","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011108","descriptor_name":"Polymers","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011108","descriptor_name":"Polymers","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013696","descriptor_name":"Temperature","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013696","descriptor_name":"Temperature","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013696","descriptor_name":"Temperature","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D014867","descriptor_name":"Water","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D014867","descriptor_name":"Water","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D014867","descriptor_name":"Water","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D020029","descriptor_name":"Base Pairing","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020029","descriptor_name":"Base Pairing","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020029","descriptor_name":"Base Pairing","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1007/s10822-014-9755-x","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-014-9755-x","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},{"id":"pmid:24865848","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/24865848","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 computer-aided molecular design","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":82,"referenced_works":["https://openalex.org/W30415900","https://openalex.org/W280694366","https://openalex.org/W1521042556","https://openalex.org/W1561492453","https://openalex.org/W1584476217","https://openalex.org/W1765139207","https://openalex.org/W1964243769","https://openalex.org/W1964547149","https://openalex.org/W1967737979","https://openalex.org/W1968463331","https://openalex.org/W1969159353","https://openalex.org/W1969664782","https://openalex.org/W1970019835","https://openalex.org/W1970072347","https://openalex.org/W1974089947","https://openalex.org/W1976499671","https://openalex.org/W1978402112","https://openalex.org/W1979792162","https://openalex.org/W1979925723","https://openalex.org/W1982167541","https://openalex.org/W1982338804","https://openalex.org/W1982404448","https://openalex.org/W1983614617","https://openalex.org/W1988674682","https://openalex.org/W1991794210","https://openalex.org/W1993748356","https://openalex.org/W1999515447","https://openalex.org/W2004045793","https://openalex.org/W2008331054","https://openalex.org/W2018201383","https://openalex.org/W2021416089","https://openalex.org/W2024015808","https://openalex.org/W2026509748","https://openalex.org/W2034073691","https://openalex.org/W2038223009","https://openalex.org/W2038758364","https://openalex.org/W2042038534","https://openalex.org/W2050042672","https://openalex.org/W2059738602","https://openalex.org/W2063384511","https://openalex.org/W2065003039","https://openalex.org/W2067174909","https://openalex.org/W2068800353","https://openalex.org/W2071434917","https://openalex.org/W2071656198","https://openalex.org/W2072925380","https://openalex.org/W2074117214","https://openalex.org/W2074640834","https://openalex.org/W2080933119","https://openalex.org/W2080945020","https://openalex.org/W2081247943","https://openalex.org/W2082442609","https://openalex.org/W2084482408","https://openalex.org/W2084843716","https://openalex.org/W2097585916","https://openalex.org/W2099001053","https://openalex.org/W2100380699","https://openalex.org/W2103815459","https://openalex.org/W2105454016","https://openalex.org/W2106655713","https://openalex.org/W2108982419","https://openalex.org/W2111894950","https://openalex.org/W2122049985","https://openalex.org/W2127382372","https://openalex.org/W2127933934","https://openalex.org/W2135995702","https://openalex.org/W2136729627","https://openalex.org/W2138717123","https://openalex.org/W2138825634","https://openalex.org/W2141735211","https://openalex.org/W2144645700","https://openalex.org/W2150945052","https://openalex.org/W2156909690","https://openalex.org/W2159057368","https://openalex.org/W2162166182","https://openalex.org/W2315280385","https://openalex.org/W2319770548","https://openalex.org/W2520232407","https://openalex.org/W2963791236","https://openalex.org/W4230981441","https://openalex.org/W4232713208","https://openalex.org/W4232909320"],"related_works":["https://openalex.org/W2292512574","https://openalex.org/W2104713756","https://openalex.org/W2051986590","https://openalex.org/W2053053126","https://openalex.org/W2033997981","https://openalex.org/W120442241","https://openalex.org/W2013917193","https://openalex.org/W2039895970","https://openalex.org/W2055833539","https://openalex.org/W2069185386"],"abstract_inverted_index":null,"counts_by_year":[{"year":2020,"cited_by_count":1},{"year":2017,"cited_by_count":2},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":1},{"year":2014,"cited_by_count":1}],"updated_date":"2026-01-13T01:12:25.745995","created_date":"2025-10-10T00:00:00"}
