{"id":"https://openalex.org/W2063433923","doi":"https://doi.org/10.1063/1.4745084","title":"Variational approach for nonpolar solvation analysis","display_name":"Variational approach for nonpolar solvation analysis","publication_year":2012,"publication_date":"2012-08-23","ids":{"openalex":"https://openalex.org/W2063433923","doi":"https://doi.org/10.1063/1.4745084","mag":"2063433923","pmid":"https://pubmed.ncbi.nlm.nih.gov/22938212","pmcid":"https://www.ncbi.nlm.nih.gov/pmc/articles/3436914"},"language":"en","primary_location":{"id":"doi:10.1063/1.4745084","doi":"https://doi.org/10.1063/1.4745084","is_oa":true,"landing_page_url":"https://doi.org/10.1063/1.4745084","pdf_url":"https://aip.scitation.org/doi/pdf/10.1063/1.4745084","source":{"id":"https://openalex.org/S77047749","display_name":"The Journal of Chemical Physics","issn_l":"0021-9606","issn":["0021-9606","1089-7690","1520-9032"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-1","ki-jl-1","medline","norway-1","poland-100","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320257","host_organization_name":"American Institute of Physics","host_organization_lineage":["https://openalex.org/P4310320257"],"host_organization_lineage_names":["American Institute of Physics"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"The Journal of Chemical Physics","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"bronze","oa_url":"https://aip.scitation.org/doi/pdf/10.1063/1.4745084","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5054123780","display_name":"Zhan Chen","orcid":"https://orcid.org/0000-0001-8687-8348","observed_orcids":["https://orcid.org/0000-0001-8687-8348"]},"institutions":[{"id":"https://openalex.org/I142606810","display_name":"Pacific Northwest National Laboratory","ror":"https://ror.org/05h992307","country_code":"US","type":"facility","lineage":["https://openalex.org/I1325736334","https://openalex.org/I1330989302","https://openalex.org/I142606810","https://openalex.org/I39565521"]},{"id":"https://openalex.org/I17301866","display_name":"University of Alabama","ror":"https://ror.org/03xrrjk67","country_code":"US","type":"education","lineage":["https://openalex.org/I17301866"]},{"id":"https://openalex.org/I87216513","display_name":"Michigan State University","ror":"https://ror.org/05hs6h993","country_code":"US","type":"education","lineage":["https://openalex.org/I87216513"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Zhan Chen","raw_affiliation_strings":["Michigan State University 1 Department of Mathematics, , East Lansing, Michigan 48824, USA","2Department of Mathematics, University of Alabama, Tuscaloosa, Alabama 35487, USA","3Pacific Northwest National Laboratory, Richland, Washington 99352, USA","4Department of Electrical and Computer Engineering, Michigan State University, East Lansing, Michigan 48824, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Michigan State University 1 Department of Mathematics, , East Lansing, Michigan 48824, USA","institution_ids":["https://openalex.org/I87216513"]},{"raw_affiliation_string":"2Department of Mathematics, University of Alabama, Tuscaloosa, Alabama 35487, USA","institution_ids":["https://openalex.org/I17301866"]},{"raw_affiliation_string":"3Pacific Northwest National Laboratory, Richland, Washington 99352, USA","institution_ids":["https://openalex.org/I142606810"]},{"raw_affiliation_string":"4Department of Electrical and Computer Engineering, Michigan State University, East Lansing, Michigan 48824, USA","institution_ids":["https://openalex.org/I87216513"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5075960258","display_name":"Shan Zhao","orcid":"https://orcid.org/0000-0002-3023-2107","observed_orcids":["https://orcid.org/0000-0002-3023-2107"]},"institutions":[{"id":"https://openalex.org/I142606810","display_name":"Pacific Northwest National Laboratory","ror":"https://ror.org/05h992307","country_code":"US","type":"facility","lineage":["https://openalex.org/I1325736334","https://openalex.org/I1330989302","https://openalex.org/I142606810","https://openalex.org/I39565521"]},{"id":"https://openalex.org/I17301866","display_name":"University of Alabama","ror":"https://ror.org/03xrrjk67","country_code":"US","type":"education","lineage":["https://openalex.org/I17301866"]},{"id":"https://openalex.org/I87216513","display_name":"Michigan State University","ror":"https://ror.org/05hs6h993","country_code":"US","type":"education","lineage":["https://openalex.org/I87216513"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Shan Zhao","raw_affiliation_strings":["University of Alabama 2 Department of Mathematics, , Tuscaloosa, Alabama 35487, USA","1Department of Mathematics, Michigan State University, East Lansing, Michigan 48824, USA","3Pacific Northwest National Laboratory, Richland, Washington 99352, USA","4Department of Electrical and Computer Engineering, Michigan State University, East Lansing, Michigan 48824, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Alabama 2 Department of Mathematics, , Tuscaloosa, Alabama 35487, USA","institution_ids":["https://openalex.org/I17301866"]},{"raw_affiliation_string":"1Department of Mathematics, Michigan State University, East Lansing, Michigan 48824, USA","institution_ids":["https://openalex.org/I87216513"]},{"raw_affiliation_string":"3Pacific Northwest National Laboratory, Richland, Washington 99352, USA","institution_ids":["https://openalex.org/I142606810"]},{"raw_affiliation_string":"4Department of Electrical and Computer Engineering, Michigan State University, East Lansing, Michigan 48824, USA","institution_ids":["https://openalex.org/I87216513"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5053179825","display_name":"Jaehun Chun","orcid":"https://orcid.org/0000-0002-2291-6496","observed_orcids":["https://orcid.org/0000-0002-2291-6496"]},"institutions":[{"id":"https://openalex.org/I142606810","display_name":"Pacific Northwest National Laboratory","ror":"https://ror.org/05h992307","country_code":"US","type":"facility","lineage":["https://openalex.org/I1325736334","https://openalex.org/I1330989302","https://openalex.org/I142606810","https://openalex.org/I39565521"]},{"id":"https://openalex.org/I17301866","display_name":"University of Alabama","ror":"https://ror.org/03xrrjk67","country_code":"US","type":"education","lineage":["https://openalex.org/I17301866"]},{"id":"https://openalex.org/I87216513","display_name":"Michigan State University","ror":"https://ror.org/05hs6h993","country_code":"US","type":"education","lineage":["https://openalex.org/I87216513"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Jaehun Chun","raw_affiliation_strings":["Pacific Northwest National Laboratory 3 , Richland, Washington 99352, USA","1Department of Mathematics, Michigan State University, East Lansing, Michigan 48824, USA","2Department of Mathematics, University of Alabama, Tuscaloosa, Alabama 35487, USA","4Department of Electrical and Computer Engineering, Michigan State University, East Lansing, Michigan 48824, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Pacific Northwest National Laboratory 3 , Richland, Washington 99352, USA","institution_ids":["https://openalex.org/I142606810"]},{"raw_affiliation_string":"1Department of Mathematics, Michigan State University, East Lansing, Michigan 48824, USA","institution_ids":["https://openalex.org/I87216513"]},{"raw_affiliation_string":"2Department of Mathematics, University of Alabama, Tuscaloosa, Alabama 35487, USA","institution_ids":["https://openalex.org/I17301866"]},{"raw_affiliation_string":"4Department of Electrical and Computer Engineering, Michigan State University, East Lansing, Michigan 48824, USA","institution_ids":["https://openalex.org/I87216513"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5091476377","display_name":"Dennis Thomas","orcid":"https://orcid.org/0000-0002-9209-8740","observed_orcids":["https://orcid.org/0000-0002-9209-8740"]},"institutions":[{"id":"https://openalex.org/I142606810","display_name":"Pacific Northwest National Laboratory","ror":"https://ror.org/05h992307","country_code":"US","type":"facility","lineage":["https://openalex.org/I1325736334","https://openalex.org/I1330989302","https://openalex.org/I142606810","https://openalex.org/I39565521"]},{"id":"https://openalex.org/I17301866","display_name":"University of Alabama","ror":"https://ror.org/03xrrjk67","country_code":"US","type":"education","lineage":["https://openalex.org/I17301866"]},{"id":"https://openalex.org/I87216513","display_name":"Michigan State University","ror":"https://ror.org/05hs6h993","country_code":"US","type":"education","lineage":["https://openalex.org/I87216513"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Dennis G. Thomas","raw_affiliation_strings":["Pacific Northwest National Laboratory 3 , Richland, Washington 99352, USA","1Department of Mathematics, Michigan State University, East Lansing, Michigan 48824, USA","2Department of Mathematics, University of Alabama, Tuscaloosa, Alabama 35487, USA","4Department of Electrical and Computer Engineering, Michigan State University, East Lansing, Michigan 48824, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Pacific Northwest National Laboratory 3 , Richland, Washington 99352, USA","institution_ids":["https://openalex.org/I142606810"]},{"raw_affiliation_string":"1Department of Mathematics, Michigan State University, East Lansing, Michigan 48824, USA","institution_ids":["https://openalex.org/I87216513"]},{"raw_affiliation_string":"2Department of Mathematics, University of Alabama, Tuscaloosa, Alabama 35487, USA","institution_ids":["https://openalex.org/I17301866"]},{"raw_affiliation_string":"4Department of Electrical and Computer Engineering, Michigan State University, East Lansing, Michigan 48824, USA","institution_ids":["https://openalex.org/I87216513"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5076984889","display_name":"Nathan Baker","orcid":"https://orcid.org/0000-0002-5892-6506","observed_orcids":["https://orcid.org/0000-0002-5892-6506"]},"institutions":[{"id":"https://openalex.org/I142606810","display_name":"Pacific Northwest National Laboratory","ror":"https://ror.org/05h992307","country_code":"US","type":"facility","lineage":["https://openalex.org/I1325736334","https://openalex.org/I1330989302","https://openalex.org/I142606810","https://openalex.org/I39565521"]},{"id":"https://openalex.org/I17301866","display_name":"University of Alabama","ror":"https://ror.org/03xrrjk67","country_code":"US","type":"education","lineage":["https://openalex.org/I17301866"]},{"id":"https://openalex.org/I87216513","display_name":"Michigan State University","ror":"https://ror.org/05hs6h993","country_code":"US","type":"education","lineage":["https://openalex.org/I87216513"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Nathan A. Baker","raw_affiliation_strings":["Pacific Northwest National Laboratory 3 , Richland, Washington 99352, USA","1Department of Mathematics, Michigan State University, East Lansing, Michigan 48824, USA","2Department of Mathematics, University of Alabama, Tuscaloosa, Alabama 35487, USA","4Department of Electrical and Computer Engineering, Michigan State University, East Lansing, Michigan 48824, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Pacific Northwest National Laboratory 3 , Richland, Washington 99352, USA","institution_ids":["https://openalex.org/I142606810"]},{"raw_affiliation_string":"1Department of Mathematics, Michigan State University, East Lansing, Michigan 48824, USA","institution_ids":["https://openalex.org/I87216513"]},{"raw_affiliation_string":"2Department of Mathematics, University of Alabama, Tuscaloosa, Alabama 35487, USA","institution_ids":["https://openalex.org/I17301866"]},{"raw_affiliation_string":"4Department of Electrical and Computer Engineering, Michigan State University, East Lansing, Michigan 48824, USA","institution_ids":["https://openalex.org/I87216513"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5001951637","display_name":"Peter W. Bates","orcid":"https://orcid.org/0000-0002-1868-862X","observed_orcids":["https://orcid.org/0000-0002-1868-862X"]},"institutions":[{"id":"https://openalex.org/I142606810","display_name":"Pacific Northwest National Laboratory","ror":"https://ror.org/05h992307","country_code":"US","type":"facility","lineage":["https://openalex.org/I1325736334","https://openalex.org/I1330989302","https://openalex.org/I142606810","https://openalex.org/I39565521"]},{"id":"https://openalex.org/I17301866","display_name":"University of Alabama","ror":"https://ror.org/03xrrjk67","country_code":"US","type":"education","lineage":["https://openalex.org/I17301866"]},{"id":"https://openalex.org/I87216513","display_name":"Michigan State University","ror":"https://ror.org/05hs6h993","country_code":"US","type":"education","lineage":["https://openalex.org/I87216513"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Peter W. Bates","raw_affiliation_strings":["Michigan State University 1 Department of Mathematics, , East Lansing, Michigan 48824, USA","2Department of Mathematics, University of Alabama, Tuscaloosa, Alabama 35487, USA","3Pacific Northwest National Laboratory, Richland, Washington 99352, USA","4Department of Electrical and Computer Engineering, Michigan State University, East Lansing, Michigan 48824, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Michigan State University 1 Department of Mathematics, , East Lansing, Michigan 48824, USA","institution_ids":["https://openalex.org/I87216513"]},{"raw_affiliation_string":"2Department of Mathematics, University of Alabama, Tuscaloosa, Alabama 35487, USA","institution_ids":["https://openalex.org/I17301866"]},{"raw_affiliation_string":"3Pacific Northwest National Laboratory, Richland, Washington 99352, USA","institution_ids":["https://openalex.org/I142606810"]},{"raw_affiliation_string":"4Department of Electrical and Computer Engineering, Michigan State University, East Lansing, Michigan 48824, USA","institution_ids":["https://openalex.org/I87216513"]}]},{"author_position":"last","author":{"id":null,"display_name":"G. W. Wei","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I142606810","display_name":"Pacific Northwest National Laboratory","ror":"https://ror.org/05h992307","country_code":"US","type":"facility","lineage":["https://openalex.org/I1325736334","https://openalex.org/I1330989302","https://openalex.org/I142606810","https://openalex.org/I39565521"]},{"id":"https://openalex.org/I17301866","display_name":"University of Alabama","ror":"https://ror.org/03xrrjk67","country_code":"US","type":"education","lineage":["https://openalex.org/I17301866"]},{"id":"https://openalex.org/I87216513","display_name":"Michigan State University","ror":"https://ror.org/05hs6h993","country_code":"US","type":"education","lineage":["https://openalex.org/I87216513"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"G. W. Wei","raw_affiliation_strings":["Michigan State University 1 Department of Mathematics, , East Lansing, Michigan 48824, USA","Michigan State University 4 Department of Electrical and Computer Engineering, , East Lansing, Michigan 48824, USA","2Department of Mathematics, University of Alabama, Tuscaloosa, Alabama 35487, USA","3Pacific Northwest National Laboratory, Richland, Washington 99352, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Michigan State University 1 Department of Mathematics, , East Lansing, Michigan 48824, USA","institution_ids":["https://openalex.org/I87216513"]},{"raw_affiliation_string":"Michigan State University 4 Department of Electrical and Computer Engineering, , East Lansing, Michigan 48824, USA","institution_ids":["https://openalex.org/I87216513"]},{"raw_affiliation_string":"2Department of Mathematics, University of Alabama, Tuscaloosa, Alabama 35487, USA","institution_ids":["https://openalex.org/I17301866"]},{"raw_affiliation_string":"3Pacific Northwest National Laboratory, Richland, Washington 99352, USA","institution_ids":["https://openalex.org/I142606810"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":3500,"currency":"USD","value_usd":3500},"apc_paid":null,"fwci":2.7849,"has_fulltext":true,"cited_by_count":44,"citation_normalized_percentile":{"value":0.91194884,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":88,"max":99},"biblio":{"volume":"137","issue":"8","first_page":"084101","last_page":"084101"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9448000192642212,"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"}},"topics":[{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9448000192642212,"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"}},{"id":"https://openalex.org/T12044","display_name":"Advanced Physical and Chemical Molecular Interactions","score":0.03999999910593033,"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/T10044","display_name":"Protein Structure and Dynamics","score":0.004100000020116568,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/implicit-solvent-models","display_name":"implicit solvent","score":0.8519999980926514},{"id":"https://openalex.org/keywords/solvation-free-energy","display_name":"solvation free energy","score":0.8539999723434448},{"id":"https://openalex.org/keywords/laplace-beltrami-equation","display_name":"Laplace-Beltrami equation","score":0.8870000243186951},{"id":"https://openalex.org/keywords/differential-geometry","display_name":"differential geometry","score":0.7710000276565552},{"id":"https://openalex.org/keywords/van-der-waals-forces","display_name":"van der Waals interactions","score":0.8859999775886536},{"id":"https://openalex.org/keywords/solute-solvent-interface","display_name":"solute-solvent interface","score":0.6110000014305115}],"concepts":[{"id":"https://openalex.org/C148093993","wikidata":"https://www.wikidata.org/wiki/Q739398","display_name":"Solvation","level":3,"score":0.9501457214355469},{"id":"https://openalex.org/C126061179","wikidata":"https://www.wikidata.org/wiki/Q189627","display_name":"van der Waals force","level":3,"score":0.6846755146980286},{"id":"https://openalex.org/C64147673","wikidata":"https://www.wikidata.org/wiki/Q6007318","display_name":"Implicit solvation","level":4,"score":0.6477368474006653},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6115720272064209},{"id":"https://openalex.org/C18762648","wikidata":"https://www.wikidata.org/wiki/Q42213","display_name":"Work (physics)","level":2,"score":0.568571150302887},{"id":"https://openalex.org/C2780471494","wikidata":"https://www.wikidata.org/wiki/Q146505","display_name":"Solvent","level":2,"score":0.5426685214042664},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.4900749921798706},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.4507283866405487},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.40289241075515747},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.3952707052230835},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.3220391869544983},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.25352591276168823},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.24185919761657715},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.11075061559677124}],"mesh":[{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012997","descriptor_name":"Solvents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D013499","descriptor_name":"Surface Properties","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":false}],"locations_count":4,"locations":[{"id":"doi:10.1063/1.4745084","doi":"https://doi.org/10.1063/1.4745084","is_oa":true,"landing_page_url":"https://doi.org/10.1063/1.4745084","pdf_url":"https://aip.scitation.org/doi/pdf/10.1063/1.4745084","source":{"id":"https://openalex.org/S77047749","display_name":"The Journal of Chemical Physics","issn_l":"0021-9606","issn":["0021-9606","1089-7690","1520-9032"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-1","ki-jl-1","medline","norway-1","poland-100","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320257","host_organization_name":"American Institute of Physics","host_organization_lineage":["https://openalex.org/P4310320257"],"host_organization_lineage_names":["American Institute of Physics"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"The Journal of Chemical Physics","raw_type":"journal-article"},{"id":"pmh:oai:europepmc.org:2743022","doi":null,"is_oa":true,"landing_page_url":"http://europepmc.org/articles/PMC3436914","pdf_url":null,"source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1303153112","host_organization_name":"European Bioinformatics Institute","host_organization_lineage":["https://openalex.org/I1303153112"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"","raw_type":"Text"},{"id":"pmh:oai:pubmedcentral.nih.gov:3436914","doi":null,"is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3436914","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":"J Chem Phys","raw_type":"Text"},{"id":"pmid:22938212","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/22938212","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":"The Journal of chemical physics","raw_type":"Journal Article"}],"best_oa_location":{"id":"doi:10.1063/1.4745084","doi":"https://doi.org/10.1063/1.4745084","is_oa":true,"landing_page_url":"https://doi.org/10.1063/1.4745084","pdf_url":"https://aip.scitation.org/doi/pdf/10.1063/1.4745084","source":{"id":"https://openalex.org/S77047749","display_name":"The Journal of Chemical Physics","issn_l":"0021-9606","issn":["0021-9606","1089-7690","1520-9032"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-1","ki-jl-1","medline","norway-1","poland-100","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320257","host_organization_name":"American Institute of Physics","host_organization_lineage":["https://openalex.org/P4310320257"],"host_organization_lineage_names":["American Institute of Physics"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"The Journal of Chemical Physics","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G1730333576","display_name":"APBS: Nanoscale Biomolecular Electrostatics Software","funder_award_id":"R01GM069702","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"},{"id":"https://openalex.org/G2325822658","display_name":"Collaborative research: Geometric flow approach to implicit solvation modeling","funder_award_id":"R01GM090208","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"},{"id":"https://openalex.org/G2326652092","display_name":"FRG: Collaborative Research: Variational multiscale approaches to biomolecular structure, dynamics and transport","funder_award_id":"1160352","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"},{"id":"https://openalex.org/G3611247453","display_name":null,"funder_award_id":"R01GM","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G6480205306","display_name":"Differential geometry approach for  virus surface formation, evolution and visualization","funder_award_id":"0936830","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"},{"id":"https://openalex.org/G7781458293","display_name":null,"funder_award_id":"CCF-0936830","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"}],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"},{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"},{"id":"https://openalex.org/F4320337354","display_name":"National Institute of General Medical Sciences","ror":"https://ror.org/04q48ey07"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2063433923.pdf","grobid_xml":"https://content.openalex.org/works/W2063433923.grobid-xml"},"referenced_works_count":64,"referenced_works":["https://openalex.org/W1532739870","https://openalex.org/W1559009744","https://openalex.org/W1658887814","https://openalex.org/W1845618662","https://openalex.org/W1964343736","https://openalex.org/W1970111528","https://openalex.org/W1974433778","https://openalex.org/W1975343521","https://openalex.org/W1977949865","https://openalex.org/W1979287312","https://openalex.org/W1980705585","https://openalex.org/W1983092879","https://openalex.org/W1983731524","https://openalex.org/W1989002937","https://openalex.org/W1992470331","https://openalex.org/W1996033088","https://openalex.org/W2000337643","https://openalex.org/W2002449583","https://openalex.org/W2002659345","https://openalex.org/W2004286074","https://openalex.org/W2004360551","https://openalex.org/W2006230455","https://openalex.org/W2008838655","https://openalex.org/W2012519948","https://openalex.org/W2018801373","https://openalex.org/W2023845546","https://openalex.org/W2026467865","https://openalex.org/W2036558950","https://openalex.org/W2042014302","https://openalex.org/W2043050698","https://openalex.org/W2043293105","https://openalex.org/W2045002050","https://openalex.org/W2048740445","https://openalex.org/W2049492563","https://openalex.org/W2054448211","https://openalex.org/W2055149645","https://openalex.org/W2056188446","https://openalex.org/W2065351060","https://openalex.org/W2068465600","https://openalex.org/W2070605895","https://openalex.org/W2073775843","https://openalex.org/W2074739639","https://openalex.org/W2079280953","https://openalex.org/W2079317593","https://openalex.org/W2084236951","https://openalex.org/W2086200041","https://openalex.org/W2093381148","https://openalex.org/W2094072738","https://openalex.org/W2094292598","https://openalex.org/W2100444300","https://openalex.org/W2103860533","https://openalex.org/W2107136830","https://openalex.org/W2110562802","https://openalex.org/W2113167159","https://openalex.org/W2145645041","https://openalex.org/W2157459448","https://openalex.org/W2159010139","https://openalex.org/W2171891719","https://openalex.org/W2177731497","https://openalex.org/W2229412420","https://openalex.org/W4233857083","https://openalex.org/W4235295213","https://openalex.org/W4250362815","https://openalex.org/W4293003482"],"related_works":["https://openalex.org/W2043050698","https://openalex.org/W2103860533","https://openalex.org/W1893938582","https://openalex.org/W1992643752","https://openalex.org/W3028901450","https://openalex.org/W2092195398","https://openalex.org/W2036011280","https://openalex.org/W2045002050","https://openalex.org/W4206443418","https://openalex.org/W3092523441"],"abstract_inverted_index":{"Solvation":[0],"analysis":[1],"is":[2,65],"one":[3],"of":[4,19,34,51,62,72,79,98,113,130],"the":[5,20,41,45,49,52,63,73,76,80,87,99,105,114,128,131],"most":[6,21],"important":[7],"tasks":[8],"in":[9,119],"chemical":[10],"and":[11,75],"biological":[12],"modeling.":[13],"Implicit":[14],"solvent":[15,28,74],"models":[16,29],"are":[17,83,118],"some":[18],"popular":[22],"approaches.":[23],"However,":[24],"commonly":[25],"used":[26],"implicit":[27],"rely":[30],"on":[31,38,68],"unphysical":[32],"definitions":[33],"solvent-solute":[35,46,88],"boundaries.":[36],"Based":[37],"differential":[39],"geometry,":[40],"present":[42,110],"work":[43],"defines":[44],"boundary":[47],"via":[48,90],"variation":[50,97],"nonpolar":[53,115,133],"solvation":[54,58,116,134],"free":[55,59],"energy.":[56],"The":[57,95,109],"energy":[60,100],"functional":[61,101],"system":[64],"constructed":[66],"based":[67],"a":[69],"continuum":[70],"description":[71,78],"discrete":[77],"solute,":[81],"which":[82,126],"dynamically":[84],"coupled":[85],"by":[86],"boundaries":[89],"van":[91],"der":[92],"Waals":[93],"interactions.":[94],"first":[96],"gives":[102],"rise":[103],"to":[104],"governing":[106],"Laplace-Beltrami":[107],"equation.":[108],"model":[111],"predictions":[112],"energies":[117],"an":[120],"excellent":[121],"agreement":[122],"with":[123],"experimental":[124],"data,":[125],"supports":[127],"validity":[129],"proposed":[132],"model.":[135]},"counts_by_year":[{"year":2024,"cited_by_count":2},{"year":2022,"cited_by_count":3},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":2},{"year":2019,"cited_by_count":4},{"year":2018,"cited_by_count":2},{"year":2017,"cited_by_count":7},{"year":2016,"cited_by_count":5},{"year":2015,"cited_by_count":6},{"year":2014,"cited_by_count":3},{"year":2013,"cited_by_count":9}],"updated_date":"2026-11-06T12:05:46.655746","created_date":"2016-06-24T00:00:00"}