{"id":"https://openalex.org/W1989089963","doi":"https://doi.org/10.1016/s0006-3495(03)74705-5","title":"Prediction of Reduction Potential Changes in Rubredoxin: A Molecular Mechanics Approach","display_name":"Prediction of Reduction Potential Changes in Rubredoxin: A Molecular Mechanics Approach","publication_year":2003,"publication_date":"2003-11-01","ids":{"openalex":"https://openalex.org/W1989089963","doi":"https://doi.org/10.1016/s0006-3495(03)74705-5","mag":"1989089963","pmid":"https://pubmed.ncbi.nlm.nih.gov/14581187","pmcid":"https://www.ncbi.nlm.nih.gov/pmc/articles/1303563"},"language":"en","primary_location":{"id":"doi:10.1016/s0006-3495(03)74705-5","doi":"https://doi.org/10.1016/s0006-3495(03)74705-5","is_oa":true,"landing_page_url":"https://doi.org/10.1016/s0006-3495(03)74705-5","pdf_url":"http://www.cell.com/article/S0006349503747055/pdf","source":{"id":"https://openalex.org/S98085912","display_name":"Biophysical Journal","issn_l":"0006-3495","issn":["0006-3495","1542-0086"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-a","jufo-2","ki-jl-1","medline","norway-1","poland-100","russia-white-list-2"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Biophysical Journal","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"bronze","oa_url":"http://www.cell.com/article/S0006349503747055/pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5066678257","display_name":"Can E. Ergenekan","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I72951846","display_name":"Washington State University","ror":"https://ror.org/05dk0ce17","country_code":"US","type":"education","lineage":["https://openalex.org/I72951846"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Can E. Ergenekan","raw_affiliation_strings":["School of Molecular Biosciences, Washington State University, Pullman, Washington 99164-4660, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Molecular Biosciences, Washington State University, Pullman, Washington 99164-4660, USA","institution_ids":["https://openalex.org/I72951846"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5059761817","display_name":"Dustin Thomas","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I72951846","display_name":"Washington State University","ror":"https://ror.org/05dk0ce17","country_code":"US","type":"education","lineage":["https://openalex.org/I72951846"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Dustin Thomas","raw_affiliation_strings":["School of Molecular Biosciences, Washington State University, Pullman, Washington"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Molecular Biosciences, Washington State University, Pullman, Washington","institution_ids":["https://openalex.org/I72951846"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5054618464","display_name":"Justin T. Fischer","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I72951846","display_name":"Washington State University","ror":"https://ror.org/05dk0ce17","country_code":"US","type":"education","lineage":["https://openalex.org/I72951846"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Justin T. Fischer","raw_affiliation_strings":["School of Molecular Biosciences, Washington State University, Pullman, Washington"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Molecular Biosciences, Washington State University, Pullman, Washington","institution_ids":["https://openalex.org/I72951846"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5041390048","display_name":"Ming\u2010Liang Tan","orcid":"https://orcid.org/0000-0003-1990-7553","observed_orcids":["https://orcid.org/0000-0003-1990-7553"]},"institutions":[{"id":"https://openalex.org/I72951846","display_name":"Washington State University","ror":"https://ror.org/05dk0ce17","country_code":"US","type":"education","lineage":["https://openalex.org/I72951846"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Ming-Liang Tan","raw_affiliation_strings":["School of Molecular Biosciences, Washington State University, Pullman, Washington"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Molecular Biosciences, Washington State University, Pullman, Washington","institution_ids":["https://openalex.org/I72951846"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5025190903","display_name":"Marly K. Eidsness","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I165733156","display_name":"University of Georgia","ror":"https://ror.org/00te3t702","country_code":"US","type":"education","lineage":["https://openalex.org/I165733156"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Marly K. Eidsness","raw_affiliation_strings":["Department of Chemistry and Center for Metalloenzyme Studies, University of Georgia, Athens, Georgia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry and Center for Metalloenzyme Studies, University of Georgia, Athens, Georgia","institution_ids":["https://openalex.org/I165733156"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5071667418","display_name":"ChulHee Kang","orcid":"https://orcid.org/0000-0002-0693-7860","observed_orcids":["https://orcid.org/0000-0002-0693-7860"]},"institutions":[{"id":"https://openalex.org/I72951846","display_name":"Washington State University","ror":"https://ror.org/05dk0ce17","country_code":"US","type":"education","lineage":["https://openalex.org/I72951846"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"ChulHee Kang","raw_affiliation_strings":["School of Molecular Biosciences, Washington State University, Pullman, Washington"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Molecular Biosciences, Washington State University, Pullman, Washington","institution_ids":["https://openalex.org/I72951846"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5047602027","display_name":"Toshiko Ichiye","orcid":"https://orcid.org/0000-0003-2474-5253","observed_orcids":["https://orcid.org/0000-0003-2474-5253"]},"institutions":[{"id":"https://openalex.org/I72951846","display_name":"Washington State University","ror":"https://ror.org/05dk0ce17","country_code":"US","type":"education","lineage":["https://openalex.org/I72951846"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Toshiko Ichiye","raw_affiliation_strings":["School of Molecular Biosciences, Washington State University, Pullman, Washington"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Molecular Biosciences, Washington State University, Pullman, Washington","institution_ids":["https://openalex.org/I72951846"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5047602027"],"corresponding_institution_ids":["https://openalex.org/I72951846"],"apc_list":{"value":3000,"currency":"USD","value_usd":3000},"apc_paid":null,"fwci":1.0289,"has_fulltext":false,"cited_by_count":27,"citation_normalized_percentile":{"value":0.72235947,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":97},"biblio":{"volume":"85","issue":"5","first_page":"2818","last_page":"2829"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.6518999934196472,"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":0.6518999934196472,"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/T11626","display_name":"Metalloenzymes and iron-sulfur proteins","score":0.3253999948501587,"subfield":{"id":"https://openalex.org/subfields/2105","display_name":"Renewable Energy, Sustainability and the Environment"},"field":{"id":"https://openalex.org/fields/21","display_name":"Energy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11162","display_name":"Enzyme Structure and Function","score":0.006599999964237213,"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/rubredoxin","display_name":"rubredoxin","score":0.9980000257492065},{"id":"https://openalex.org/keywords/redox-potential","display_name":"redox potential","score":0.9729999899864197},{"id":"https://openalex.org/keywords/site-directed-mutagenesis","display_name":"site-directed mutagenesis","score":0.7799999713897705},{"id":"https://openalex.org/keywords/side-chain-size","display_name":"side chain size","score":0.8769999742507935},{"id":"https://openalex.org/keywords/backbone-conformation","display_name":"backbone conformation","score":0.6579999923706055},{"id":"https://openalex.org/keywords/solvent-penetration","display_name":"solvent penetration","score":0.8040000200271606},{"id":"https://openalex.org/keywords/clostridium-pasteurianum","display_name":"Clostridium pasteurianum","score":0.9620000123977661},{"id":"https://openalex.org/keywords/protein-environment-effects","display_name":"protein environment effects","score":0.5289999842643738},{"id":"https://openalex.org/keywords/molecular-mechanics-simulation","display_name":"molecular mechanics simulation","score":0.4490000009536743}],"concepts":[{"id":"https://openalex.org/C142677202","wikidata":"https://www.wikidata.org/wiki/Q3062554","display_name":"Rubredoxin","level":2,"score":0.8656295537948608},{"id":"https://openalex.org/C25057246","wikidata":"https://www.wikidata.org/wiki/Q1344441","display_name":"Molecular mechanics","level":3,"score":0.709634006023407},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6805243492126465},{"id":"https://openalex.org/C2777573094","wikidata":"https://www.wikidata.org/wiki/Q483752","display_name":"Valine","level":3,"score":0.4625588655471802},{"id":"https://openalex.org/C2779856020","wikidata":"https://www.wikidata.org/wiki/Q218642","display_name":"Alanine","level":3,"score":0.4622720181941986},{"id":"https://openalex.org/C55904794","wikidata":"https://www.wikidata.org/wiki/Q82682","display_name":"Redox","level":2,"score":0.4426576793193817},{"id":"https://openalex.org/C178180057","wikidata":"https://www.wikidata.org/wiki/Q7251477","display_name":"Protein superfamily","level":3,"score":0.4291877746582031},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.3563506603240967},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.34905239939689636},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.2286641001701355},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.1944950819015503},{"id":"https://openalex.org/C515207424","wikidata":"https://www.wikidata.org/wiki/Q8066","display_name":"Amino acid","level":2,"score":0.148609459400177},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003013","descriptor_name":"Clostridium","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004735","descriptor_name":"Energy Transfer","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008969","descriptor_name":"Molecular Sequence Data","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009154","descriptor_name":"Mutation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010084","descriptor_name":"Oxidation-Reduction","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012416","descriptor_name":"Rubredoxins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D012997","descriptor_name":"Solvents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017386","descriptor_name":"Sequence Homology, Amino Acid","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017433","descriptor_name":"Protein Structure, Secondary","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019943","descriptor_name":"Amino Acid Substitution","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020539","descriptor_name":"Sequence Analysis, Protein","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true},{"descriptor_ui":"D055672","descriptor_name":"Static Electricity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":3,"locations":[{"id":"doi:10.1016/s0006-3495(03)74705-5","doi":"https://doi.org/10.1016/s0006-3495(03)74705-5","is_oa":true,"landing_page_url":"https://doi.org/10.1016/s0006-3495(03)74705-5","pdf_url":"http://www.cell.com/article/S0006349503747055/pdf","source":{"id":"https://openalex.org/S98085912","display_name":"Biophysical Journal","issn_l":"0006-3495","issn":["0006-3495","1542-0086"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-a","jufo-2","ki-jl-1","medline","norway-1","poland-100","russia-white-list-2"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Biophysical Journal","raw_type":"journal-article"},{"id":"pmh:oai:pubmedcentral.nih.gov:1303563","doi":null,"is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/1303563","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"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":"Biophys J","raw_type":"Text"},{"id":"pmid:14581187","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/14581187","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,"listed_in":[],"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":"Biophysical journal","raw_type":"Comparative Study"}],"best_oa_location":{"id":"doi:10.1016/s0006-3495(03)74705-5","doi":"https://doi.org/10.1016/s0006-3495(03)74705-5","is_oa":true,"landing_page_url":"https://doi.org/10.1016/s0006-3495(03)74705-5","pdf_url":"http://www.cell.com/article/S0006349503747055/pdf","source":{"id":"https://openalex.org/S98085912","display_name":"Biophysical Journal","issn_l":"0006-3495","issn":["0006-3495","1542-0086"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-a","jufo-2","ki-jl-1","medline","norway-1","poland-100","russia-white-list-2"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Biophysical Journal","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G2925516221","display_name":"Computer Simulations of Electron Transfer Proteins","funder_award_id":"R01GM045303","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"}],"funders":[{"id":"https://openalex.org/F4320337354","display_name":"National Institute of General Medical Sciences","ror":"https://ror.org/04q48ey07"}],"has_content":{"grobid_xml":false,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W1989089963.pdf"},"referenced_works_count":32,"referenced_works":["https://openalex.org/W1575355051","https://openalex.org/W1963688638","https://openalex.org/W1968467862","https://openalex.org/W1970656333","https://openalex.org/W1970747580","https://openalex.org/W1971494290","https://openalex.org/W1975945758","https://openalex.org/W1976499671","https://openalex.org/W1985975492","https://openalex.org/W1994001602","https://openalex.org/W2004360551","https://openalex.org/W2013653287","https://openalex.org/W2018065777","https://openalex.org/W2028231353","https://openalex.org/W2029887832","https://openalex.org/W2031491179","https://openalex.org/W2035091881","https://openalex.org/W2055160313","https://openalex.org/W2067016380","https://openalex.org/W2070469795","https://openalex.org/W2078248419","https://openalex.org/W2106140689","https://openalex.org/W2122001848","https://openalex.org/W2133312664","https://openalex.org/W2152733087","https://openalex.org/W2162166182","https://openalex.org/W2344881041","https://openalex.org/W2478215769","https://openalex.org/W2788251069","https://openalex.org/W4245899581","https://openalex.org/W4254547973","https://openalex.org/W6670118088"],"related_works":["https://openalex.org/W1587151726","https://openalex.org/W1967185579","https://openalex.org/W2151036348","https://openalex.org/W2070469795","https://openalex.org/W1998801919","https://openalex.org/W1994001602","https://openalex.org/W1985975492","https://openalex.org/W2055160313","https://openalex.org/W2018065777","https://openalex.org/W2792363408"],"abstract_inverted_index":null,"counts_by_year":[{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":2},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":1},{"year":2014,"cited_by_count":3},{"year":2013,"cited_by_count":2},{"year":2012,"cited_by_count":2}],"updated_date":"2026-11-01T11:40:01.658920","created_date":"2016-06-24T00:00:00"}