{"id":"https://openalex.org/W3201039087","doi":"https://doi.org/10.1021/acs.jcim.1c00215","title":"FEPrepare: A Web-Based Tool for Automating the Setup of Relative Binding Free Energy Calculations","display_name":"FEPrepare: A Web-Based Tool for Automating the Setup of Relative Binding Free Energy Calculations","publication_year":2021,"publication_date":"2021-09-14","ids":{"openalex":"https://openalex.org/W3201039087","doi":"https://doi.org/10.1021/acs.jcim.1c00215","mag":"3201039087","pmid":"https://pubmed.ncbi.nlm.nih.gov/34519200"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.1c00215","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.1c00215","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","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/A5019782503","display_name":"Stamatia Zavitsanou","orcid":"https://orcid.org/0000-0002-0571-2264"},"institutions":[{"id":"https://openalex.org/I200777214","display_name":"National and Kapodistrian University of Athens","ror":"https://ror.org/04gnjpq42","country_code":"GR","type":"education","lineage":["https://openalex.org/I200777214"]},{"id":"https://openalex.org/I206127235","display_name":"Academy of Athens","ror":"https://ror.org/00qsdn986","country_code":"GR","type":"education","lineage":["https://openalex.org/I206127235"]}],"countries":["GR"],"is_corresponding":false,"raw_author_name":"Stamatia Zavitsanou","raw_affiliation_strings":["Biomedical Research Foundation, Academy of Athens, 4 Soranou Ephessiou, 11527 Athens, Greece","Information Technologies in Medicine and Biology, Department of Informatics and Telecommunications, National and Kapodistrian University of Athens, 15784 Athens, Greece"],"affiliations":[{"raw_affiliation_string":"Biomedical Research Foundation, Academy of Athens, 4 Soranou Ephessiou, 11527 Athens, Greece","institution_ids":["https://openalex.org/I206127235"]},{"raw_affiliation_string":"Information Technologies in Medicine and Biology, Department of Informatics and Telecommunications, National and Kapodistrian University of Athens, 15784 Athens, Greece","institution_ids":["https://openalex.org/I200777214"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5027883649","display_name":"Alexandros Tsengenes","orcid":null},"institutions":[{"id":"https://openalex.org/I206127235","display_name":"Academy of Athens","ror":"https://ror.org/00qsdn986","country_code":"GR","type":"education","lineage":["https://openalex.org/I206127235"]}],"countries":["GR"],"is_corresponding":false,"raw_author_name":"Alexandros Tsengenes","raw_affiliation_strings":["Biomedical Research Foundation, Academy of Athens, 4 Soranou Ephessiou, 11527 Athens, Greece"],"affiliations":[{"raw_affiliation_string":"Biomedical Research Foundation, Academy of Athens, 4 Soranou Ephessiou, 11527 Athens, Greece","institution_ids":["https://openalex.org/I206127235"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5058688565","display_name":"Michail Papadourakis","orcid":"https://orcid.org/0000-0002-9969-5871"},"institutions":[{"id":"https://openalex.org/I206127235","display_name":"Academy of Athens","ror":"https://ror.org/00qsdn986","country_code":"GR","type":"education","lineage":["https://openalex.org/I206127235"]}],"countries":["GR"],"is_corresponding":false,"raw_author_name":"Michail Papadourakis","raw_affiliation_strings":["Biomedical Research Foundation, Academy of Athens, 4 Soranou Ephessiou, 11527 Athens, Greece"],"affiliations":[{"raw_affiliation_string":"Biomedical Research Foundation, Academy of Athens, 4 Soranou Ephessiou, 11527 Athens, Greece","institution_ids":["https://openalex.org/I206127235"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5040603165","display_name":"Giorgio Amendola","orcid":"https://orcid.org/0000-0003-4271-5031"},"institutions":[{"id":"https://openalex.org/I197809005","display_name":"University of Campania \"Luigi Vanvitelli\"","ror":"https://ror.org/02kqnpp86","country_code":"IT","type":"education","lineage":["https://openalex.org/I197809005"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Giorgio Amendola","raw_affiliation_strings":["DiSTABiF, Universit\u00e0 della Campania Luigi Vanvitelli, Via Vivaldi 43, 81100 Caserta, Italy"],"affiliations":[{"raw_affiliation_string":"DiSTABiF, Universit\u00e0 della Campania Luigi Vanvitelli, Via Vivaldi 43, 81100 Caserta, Italy","institution_ids":["https://openalex.org/I197809005"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5006975149","display_name":"Alexios Chatzigoulas","orcid":"https://orcid.org/0000-0001-5891-8154"},"institutions":[{"id":"https://openalex.org/I200777214","display_name":"National and Kapodistrian University of Athens","ror":"https://ror.org/04gnjpq42","country_code":"GR","type":"education","lineage":["https://openalex.org/I200777214"]},{"id":"https://openalex.org/I206127235","display_name":"Academy of Athens","ror":"https://ror.org/00qsdn986","country_code":"GR","type":"education","lineage":["https://openalex.org/I206127235"]}],"countries":["GR"],"is_corresponding":false,"raw_author_name":"Alexios Chatzigoulas","raw_affiliation_strings":["Biomedical Research Foundation, Academy of Athens, 4 Soranou Ephessiou, 11527 Athens, Greece","Information Technologies in Medicine and Biology, Department of Informatics and Telecommunications, National and Kapodistrian University of Athens, 15784 Athens, Greece"],"affiliations":[{"raw_affiliation_string":"Biomedical Research Foundation, Academy of Athens, 4 Soranou Ephessiou, 11527 Athens, Greece","institution_ids":["https://openalex.org/I206127235"]},{"raw_affiliation_string":"Information Technologies in Medicine and Biology, Department of Informatics and Telecommunications, National and Kapodistrian University of Athens, 15784 Athens, Greece","institution_ids":["https://openalex.org/I200777214"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5112498303","display_name":"Dimitris Dellis","orcid":null},"institutions":[{"id":"https://openalex.org/I63843962","display_name":"National Infrastructures for Research and Technology -  GRNET S.A","ror":"https://ror.org/05tcasm11","country_code":"GR","type":"company","lineage":["https://openalex.org/I63843962"]}],"countries":["GR"],"is_corresponding":false,"raw_author_name":"Dimitris Dellis","raw_affiliation_strings":["Greek Research and Technology Network, S.A., 7 Kifissias Avenue, 11523 Athens, Greece"],"affiliations":[{"raw_affiliation_string":"Greek Research and Technology Network, S.A., 7 Kifissias Avenue, 11523 Athens, Greece","institution_ids":["https://openalex.org/I63843962"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5068576727","display_name":"Sandro Cosconati","orcid":"https://orcid.org/0000-0002-8900-0968"},"institutions":[{"id":"https://openalex.org/I197809005","display_name":"University of Campania \"Luigi Vanvitelli\"","ror":"https://ror.org/02kqnpp86","country_code":"IT","type":"education","lineage":["https://openalex.org/I197809005"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Sandro Cosconati","raw_affiliation_strings":["DiSTABiF, Universit\u00e0 della Campania Luigi Vanvitelli, Via Vivaldi 43, 81100 Caserta, Italy"],"affiliations":[{"raw_affiliation_string":"DiSTABiF, Universit\u00e0 della Campania Luigi Vanvitelli, Via Vivaldi 43, 81100 Caserta, Italy","institution_ids":["https://openalex.org/I197809005"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5062304446","display_name":"Zoe Cournia","orcid":"https://orcid.org/0000-0001-9287-364X"},"institutions":[{"id":"https://openalex.org/I206127235","display_name":"Academy of Athens","ror":"https://ror.org/00qsdn986","country_code":"GR","type":"education","lineage":["https://openalex.org/I206127235"]}],"countries":["GR"],"is_corresponding":true,"raw_author_name":"Zoe Cournia","raw_affiliation_strings":["Biomedical Research Foundation, Academy of Athens, 4 Soranou Ephessiou, 11527 Athens, Greece"],"affiliations":[{"raw_affiliation_string":"Biomedical Research Foundation, Academy of Athens, 4 Soranou Ephessiou, 11527 Athens, Greece","institution_ids":["https://openalex.org/I206127235"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":8,"corresponding_author_ids":["https://openalex.org/A5062304446"],"corresponding_institution_ids":["https://openalex.org/I206127235"],"apc_list":null,"apc_paid":null,"fwci":3.4685,"has_fulltext":false,"cited_by_count":30,"citation_normalized_percentile":{"value":0.93435969,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":93,"max":99},"biblio":{"volume":"61","issue":"9","first_page":"4131","last_page":"4138"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9998000264167786,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9998000264167786,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9997000098228455,"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/T11124","display_name":"Protein purification and stability","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"}}],"keywords":[{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.7080873847007751},{"id":"https://openalex.org/keywords/set","display_name":"Set (abstract data type)","score":0.5729579925537109},{"id":"https://openalex.org/keywords/force-field","display_name":"Force field (fiction)","score":0.5264533162117004},{"id":"https://openalex.org/keywords/energy","display_name":"Energy (signal processing)","score":0.5019428730010986},{"id":"https://openalex.org/keywords/field","display_name":"Field (mathematics)","score":0.4822874367237091},{"id":"https://openalex.org/keywords/scheme","display_name":"Scheme (mathematics)","score":0.44511210918426514},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.41365039348602295},{"id":"https://openalex.org/keywords/computational-science","display_name":"Computational science","score":0.4101719856262207},{"id":"https://openalex.org/keywords/topology","display_name":"Topology (electrical circuits)","score":0.4009914994239807},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.1221819519996643},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.11379000544548035},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.11242178082466125}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7080873847007751},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.5729579925537109},{"id":"https://openalex.org/C10803110","wikidata":"https://www.wikidata.org/wiki/Q1341441","display_name":"Force field (fiction)","level":2,"score":0.5264533162117004},{"id":"https://openalex.org/C186370098","wikidata":"https://www.wikidata.org/wiki/Q442787","display_name":"Energy (signal processing)","level":2,"score":0.5019428730010986},{"id":"https://openalex.org/C9652623","wikidata":"https://www.wikidata.org/wiki/Q190109","display_name":"Field (mathematics)","level":2,"score":0.4822874367237091},{"id":"https://openalex.org/C77618280","wikidata":"https://www.wikidata.org/wiki/Q1155772","display_name":"Scheme (mathematics)","level":2,"score":0.44511210918426514},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.41365039348602295},{"id":"https://openalex.org/C459310","wikidata":"https://www.wikidata.org/wiki/Q117801","display_name":"Computational science","level":1,"score":0.4101719856262207},{"id":"https://openalex.org/C184720557","wikidata":"https://www.wikidata.org/wiki/Q7825049","display_name":"Topology (electrical circuits)","level":2,"score":0.4009914994239807},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.1221819519996643},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.11379000544548035},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.11242178082466125},{"id":"https://openalex.org/C134306372","wikidata":"https://www.wikidata.org/wiki/Q7754","display_name":"Mathematical analysis","level":1,"score":0.0},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.0},{"id":"https://openalex.org/C202444582","wikidata":"https://www.wikidata.org/wiki/Q837863","display_name":"Pure mathematics","level":1,"score":0.0},{"id":"https://openalex.org/C114614502","wikidata":"https://www.wikidata.org/wiki/Q76592","display_name":"Combinatorics","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","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},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019277","descriptor_name":"Entropy","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019277","descriptor_name":"Entropy","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019277","descriptor_name":"Entropy","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055585","descriptor_name":"Physical Phenomena","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055585","descriptor_name":"Physical Phenomena","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055585","descriptor_name":"Physical Phenomena","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":true},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.1021/acs.jcim.1c00215","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.1c00215","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:34519200","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/34519200","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 chemical information and modeling","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Affordable and clean energy","score":0.8899999856948853,"id":"https://metadata.un.org/sdg/7"}],"awards":[{"id":"https://openalex.org/G3387486139","display_name":null,"funder_award_id":"675121","funder_id":"https://openalex.org/F4320320300","funder_display_name":"European Commission"},{"id":"https://openalex.org/G3775189192","display_name":null,"funder_award_id":"857645","funder_id":"https://openalex.org/F4320320300","funder_display_name":"European Commission"},{"id":"https://openalex.org/G65808315","display_name":null,"funder_award_id":"Application of Advanced In Silico Methods to Fight","funder_id":"https://openalex.org/F4320323054","funder_display_name":"Associazione Italiana per la Ricerca sul Cancro"}],"funders":[{"id":"https://openalex.org/F4320320300","display_name":"European Commission","ror":"https://ror.org/00k4n6c32"},{"id":"https://openalex.org/F4320323054","display_name":"Associazione Italiana per la Ricerca sul Cancro","ror":"https://ror.org/02g2x7380"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":60,"referenced_works":["https://openalex.org/W119643168","https://openalex.org/W1031578623","https://openalex.org/W1508256447","https://openalex.org/W1625910593","https://openalex.org/W1968484323","https://openalex.org/W1977362373","https://openalex.org/W1979847955","https://openalex.org/W1982582136","https://openalex.org/W2010567487","https://openalex.org/W2019824077","https://openalex.org/W2025006523","https://openalex.org/W2029667189","https://openalex.org/W2031390939","https://openalex.org/W2031964135","https://openalex.org/W2043668344","https://openalex.org/W2044656372","https://openalex.org/W2068701052","https://openalex.org/W2070753604","https://openalex.org/W2072256473","https://openalex.org/W2077217951","https://openalex.org/W2092956715","https://openalex.org/W2093755925","https://openalex.org/W2131643298","https://openalex.org/W2140849578","https://openalex.org/W2147993766","https://openalex.org/W2154670681","https://openalex.org/W2161605421","https://openalex.org/W2271736303","https://openalex.org/W2332119174","https://openalex.org/W2340910083","https://openalex.org/W2420659973","https://openalex.org/W2495659538","https://openalex.org/W2570970768","https://openalex.org/W2606142660","https://openalex.org/W2730519791","https://openalex.org/W2767555294","https://openalex.org/W2769329384","https://openalex.org/W2772606519","https://openalex.org/W2779453134","https://openalex.org/W2801213622","https://openalex.org/W2912818999","https://openalex.org/W2941138866","https://openalex.org/W2949223833","https://openalex.org/W2949250388","https://openalex.org/W2967253501","https://openalex.org/W2981948585","https://openalex.org/W2990537389","https://openalex.org/W3004098428","https://openalex.org/W3014351048","https://openalex.org/W3027827456","https://openalex.org/W3034934060","https://openalex.org/W3054319032","https://openalex.org/W3087004338","https://openalex.org/W3094489488","https://openalex.org/W3096455667","https://openalex.org/W3103107554","https://openalex.org/W3114493954","https://openalex.org/W3130155181","https://openalex.org/W3135559599","https://openalex.org/W3158032220"],"related_works":["https://openalex.org/W1975289146","https://openalex.org/W2105887828","https://openalex.org/W2087240539","https://openalex.org/W4236520801","https://openalex.org/W2122599759","https://openalex.org/W1968508988","https://openalex.org/W1537234410","https://openalex.org/W1995022398","https://openalex.org/W2072798552","https://openalex.org/W1996733108"],"abstract_inverted_index":{"Relative":[0],"binding":[1,16,71],"free":[2,50],"energy":[3,51],"calculations":[4,73],"in":[5,13,19],"drug":[6],"design":[7],"are":[8],"becoming":[9],"a":[10,20,60,105],"useful":[11],"tool":[12],"facilitating":[14],"lead":[15],"affinity":[17],"optimization":[18],"cost-":[21],"and":[22,48,91,114],"time-efficient":[23],"manner.":[24],"However,":[25],"they":[26],"have":[27],"been":[28],"limited":[29],"by":[30],"technical":[31],"challenges":[32],"such":[33],"as":[34],"the":[35,66,75,82,96],"manual":[36],"creation":[37],"of":[38,41,78,81],"large":[39],"numbers":[40],"input":[42],"files":[43,101],"to":[44,103],"set":[45],"up,":[46],"run,":[47],"analyze":[49],"simulations.":[52],"In":[53],"this":[54],"Application":[55],"Note,":[56],"we":[57],"describe":[58],"FEPrepare,":[59],"novel":[61],"web-based":[62],"tool,":[63],"which":[64],"automates":[65],"setup":[67],"procedure":[68],"for":[69,74],"relative":[70],"FEP":[72],"dual-topology":[76],"scheme":[77],"NAMD,":[79],"one":[80],"major":[83],"MD":[84],"engines,":[85],"using":[86],"OPLS-AA":[87],"force":[88],"field":[89],"topology":[90],"parameter":[92],"files.":[93],"FEPrepare":[94,110],"provides":[95],"user":[97],"with":[98,108],"all":[99],"necessary":[100],"needed":[102],"run":[104],"FEP/MD":[106],"simulation":[107],"NAMD.":[109],"can":[111],"be":[112],"accessed":[113],"used":[115],"at":[116],"https://feprepare.vi-seem.eu/.":[117]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":5},{"year":2024,"cited_by_count":5},{"year":2023,"cited_by_count":8},{"year":2022,"cited_by_count":8},{"year":2021,"cited_by_count":2}],"updated_date":"2026-03-27T05:58:40.876381","created_date":"2025-10-10T00:00:00"}
