{"id":"https://openalex.org/W2052338665","doi":"https://doi.org/10.1021/ci500102y","title":"Computational Screening and Selection of Cyclic Peptide Hairpin Mimetics by Molecular Simulation and Kinetic Network Models","display_name":"Computational Screening and Selection of Cyclic Peptide Hairpin Mimetics by Molecular Simulation and Kinetic Network Models","publication_year":2014,"publication_date":"2014-04-23","ids":{"openalex":"https://openalex.org/W2052338665","doi":"https://doi.org/10.1021/ci500102y","mag":"2052338665","pmid":"https://pubmed.ncbi.nlm.nih.gov/24754484"},"language":"en","primary_location":{"id":"doi:10.1021/ci500102y","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci500102y","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/A5087154415","display_name":"Asghar M. Razavi","orcid":"https://orcid.org/0000-0003-4639-5856"},"institutions":[{"id":"https://openalex.org/I84392919","display_name":"Temple University","ror":"https://ror.org/00kx1jb78","country_code":"US","type":"education","lineage":["https://openalex.org/I84392919"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Asghar M. Razavi","raw_affiliation_strings":["Department of Chemistry, Temple University, Philadelphia, Pennsylvania 19122, United States","Department of Chemistry,#R#Temple University, Philadelphia,#R#Pennsylvania 19122, United States"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Temple University, Philadelphia, Pennsylvania 19122, United States","institution_ids":["https://openalex.org/I84392919"]},{"raw_affiliation_string":"Department of Chemistry,#R#Temple University, Philadelphia,#R#Pennsylvania 19122, United States","institution_ids":["https://openalex.org/I84392919"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5023759374","display_name":"William M. Wuest","orcid":"https://orcid.org/0000-0002-5198-7744"},"institutions":[{"id":"https://openalex.org/I84392919","display_name":"Temple University","ror":"https://ror.org/00kx1jb78","country_code":"US","type":"education","lineage":["https://openalex.org/I84392919"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"William M. Wuest","raw_affiliation_strings":["Department of Chemistry, Temple University, Philadelphia, Pennsylvania 19122, United States","Department of Chemistry,#R#Temple University, Philadelphia,#R#Pennsylvania 19122, United States"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Temple University, Philadelphia, Pennsylvania 19122, United States","institution_ids":["https://openalex.org/I84392919"]},{"raw_affiliation_string":"Department of Chemistry,#R#Temple University, Philadelphia,#R#Pennsylvania 19122, United States","institution_ids":["https://openalex.org/I84392919"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5074806960","display_name":"Vincent A. Voelz","orcid":"https://orcid.org/0000-0002-1054-2124"},"institutions":[{"id":"https://openalex.org/I84392919","display_name":"Temple University","ror":"https://ror.org/00kx1jb78","country_code":"US","type":"education","lineage":["https://openalex.org/I84392919"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Vincent A. Voelz","raw_affiliation_strings":["Department of Chemistry, Temple University, Philadelphia, Pennsylvania 19122, United States","Department of Chemistry,#R#Temple University, Philadelphia,#R#Pennsylvania 19122, United States"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Temple University, Philadelphia, Pennsylvania 19122, United States","institution_ids":["https://openalex.org/I84392919"]},{"raw_affiliation_string":"Department of Chemistry,#R#Temple University, Philadelphia,#R#Pennsylvania 19122, United States","institution_ids":["https://openalex.org/I84392919"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5087154415"],"corresponding_institution_ids":["https://openalex.org/I84392919"],"apc_list":null,"apc_paid":null,"fwci":4.0436,"has_fulltext":false,"cited_by_count":51,"citation_normalized_percentile":{"value":0.94702315,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":89,"max":99},"biblio":{"volume":"54","issue":"5","first_page":"1425","last_page":"1432"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10911","display_name":"Chemical Synthesis and Analysis","score":0.9998000264167786,"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/T10911","display_name":"Chemical Synthesis and Analysis","score":0.9998000264167786,"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/T13326","display_name":"Biochemical and Structural Characterization","score":0.9994000196456909,"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/T10044","display_name":"Protein Structure and Dynamics","score":0.9991000294685364,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.5926873087882996},{"id":"https://openalex.org/keywords/steric-effects","display_name":"Steric effects","score":0.5882949233055115},{"id":"https://openalex.org/keywords/peptidomimetic","display_name":"Peptidomimetic","score":0.5118783712387085},{"id":"https://openalex.org/keywords/markov-chain","display_name":"Markov chain","score":0.48424670100212097},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.4652918577194214},{"id":"https://openalex.org/keywords/population","display_name":"Population","score":0.4617481529712677},{"id":"https://openalex.org/keywords/cyclic-peptide","display_name":"Cyclic peptide","score":0.4159521460533142},{"id":"https://openalex.org/keywords/biological-system","display_name":"Biological system","score":0.39991921186447144},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.3762266933917999},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.36993706226348877},{"id":"https://openalex.org/keywords/peptide","display_name":"Peptide","score":0.3037636876106262},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.24835240840911865},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.13059434294700623},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.09452110528945923},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.09109166264533997}],"concepts":[{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.5926873087882996},{"id":"https://openalex.org/C201194858","wikidata":"https://www.wikidata.org/wiki/Q898238","display_name":"Steric effects","level":2,"score":0.5882949233055115},{"id":"https://openalex.org/C124790011","wikidata":"https://www.wikidata.org/wiki/Q2069797","display_name":"Peptidomimetic","level":3,"score":0.5118783712387085},{"id":"https://openalex.org/C98763669","wikidata":"https://www.wikidata.org/wiki/Q176645","display_name":"Markov chain","level":2,"score":0.48424670100212097},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.4652918577194214},{"id":"https://openalex.org/C2908647359","wikidata":"https://www.wikidata.org/wiki/Q2625603","display_name":"Population","level":2,"score":0.4617481529712677},{"id":"https://openalex.org/C60984968","wikidata":"https://www.wikidata.org/wiki/Q389172","display_name":"Cyclic peptide","level":3,"score":0.4159521460533142},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.39991921186447144},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.3762266933917999},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.36993706226348877},{"id":"https://openalex.org/C2779281246","wikidata":"https://www.wikidata.org/wiki/Q172847","display_name":"Peptide","level":2,"score":0.3037636876106262},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.24835240840911865},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.13059434294700623},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.09452110528945923},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.09109166264533997},{"id":"https://openalex.org/C149923435","wikidata":"https://www.wikidata.org/wiki/Q37732","display_name":"Demography","level":1,"score":0.0},{"id":"https://openalex.org/C144024400","wikidata":"https://www.wikidata.org/wiki/Q21201","display_name":"Sociology","level":0,"score":0.0}],"mesh":[{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001426","descriptor_name":"Bacterial Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D001426","descriptor_name":"Bacterial Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D001426","descriptor_name":"Bacterial Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D001426","descriptor_name":"Bacterial Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001426","descriptor_name":"Bacterial Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001426","descriptor_name":"Bacterial Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004353","descriptor_name":"Drug Evaluation, Preclinical","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D004353","descriptor_name":"Drug Evaluation, Preclinical","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D004353","descriptor_name":"Drug Evaluation, Preclinical","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D007700","descriptor_name":"Kinetics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007700","descriptor_name":"Kinetics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007700","descriptor_name":"Kinetics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008390","descriptor_name":"Markov Chains","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008390","descriptor_name":"Markov Chains","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008390","descriptor_name":"Markov Chains","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008745","descriptor_name":"Methylation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008745","descriptor_name":"Methylation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008745","descriptor_name":"Methylation","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":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D010456","descriptor_name":"Peptides, Cyclic","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D010456","descriptor_name":"Peptides, Cyclic","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D010456","descriptor_name":"Peptides, Cyclic","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011549","descriptor_name":"Pseudomonas","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011549","descriptor_name":"Pseudomonas","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011549","descriptor_name":"Pseudomonas","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","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":"D017433","descriptor_name":"Protein Structure, Secondary","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":"D057786","descriptor_name":"Peptidomimetics","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D057786","descriptor_name":"Peptidomimetics","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D057786","descriptor_name":"Peptidomimetics","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1021/ci500102y","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci500102y","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:24754484","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/24754484","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":"Peace, Justice and strong institutions","score":0.7900000214576721,"id":"https://metadata.un.org/sdg/16"}],"awards":[{"id":"https://openalex.org/G5433630625","display_name":null,"funder_award_id":"CNS-09-58854","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"}],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":60,"referenced_works":["https://openalex.org/W1658649599","https://openalex.org/W1898130445","https://openalex.org/W1964079542","https://openalex.org/W1965028293","https://openalex.org/W1966078827","https://openalex.org/W1969335186","https://openalex.org/W1979639397","https://openalex.org/W1983029663","https://openalex.org/W1986794690","https://openalex.org/W1986808726","https://openalex.org/W1990593157","https://openalex.org/W1992615946","https://openalex.org/W1994228264","https://openalex.org/W1994898746","https://openalex.org/W1999253307","https://openalex.org/W2000676038","https://openalex.org/W2001509033","https://openalex.org/W2005169770","https://openalex.org/W2008372467","https://openalex.org/W2009008563","https://openalex.org/W2016336300","https://openalex.org/W2019870120","https://openalex.org/W2024762727","https://openalex.org/W2027593773","https://openalex.org/W2037535298","https://openalex.org/W2038296606","https://openalex.org/W2040576705","https://openalex.org/W2049275721","https://openalex.org/W2050991123","https://openalex.org/W2052618033","https://openalex.org/W2052859424","https://openalex.org/W2061638259","https://openalex.org/W2065097700","https://openalex.org/W2067181813","https://openalex.org/W2067712920","https://openalex.org/W2075243501","https://openalex.org/W2077947928","https://openalex.org/W2082885292","https://openalex.org/W2085213650","https://openalex.org/W2097472327","https://openalex.org/W2100991780","https://openalex.org/W2129285395","https://openalex.org/W2132705825","https://openalex.org/W2133620840","https://openalex.org/W2136471260","https://openalex.org/W2136575720","https://openalex.org/W2143592395","https://openalex.org/W2147135207","https://openalex.org/W2147660186","https://openalex.org/W2147993766","https://openalex.org/W2161605421","https://openalex.org/W2164270482","https://openalex.org/W2201713963","https://openalex.org/W2314831907","https://openalex.org/W2315111005","https://openalex.org/W2315297180","https://openalex.org/W2949836140","https://openalex.org/W3100810942","https://openalex.org/W3101066868","https://openalex.org/W3105581675"],"related_works":["https://openalex.org/W3185899234","https://openalex.org/W2018226025","https://openalex.org/W2764245686","https://openalex.org/W2034203261","https://openalex.org/W3164109502","https://openalex.org/W2737382020","https://openalex.org/W2951692049","https://openalex.org/W4312605888","https://openalex.org/W1981570841","https://openalex.org/W3175450767"],"abstract_inverted_index":{"Designing":[0],"peptidomimetic":[1],"compounds":[2],"to":[3,48,60,108,135],"have":[4,100],"a":[5,35,43,101,120,125,129],"preorganized":[6],"structure":[7],"in":[8,42,82,148,169],"solution":[9],"is":[10,155],"highly":[11],"nontrivial.":[12],"To":[13],"show":[14],"how":[15,95],"simulation-based":[16],"approaches":[17,186],"can":[18,99],"help":[19],"speed":[20],"this":[21,153],"process,":[22],"we":[23,118],"performed":[24],"an":[25],"extensive":[26],"simulation":[27,59,79],"study":[28],"of":[29,34,74,112,152,165,175],"designed":[30],"cyclic":[31],"peptide":[32],"mimics":[33],"\u03b2-hairpin":[36],"from":[37,90],"bacterial":[38,49],"protein":[39],"LapD":[40],"involved":[41],"protein-protein":[44],"interaction":[45,123],"(PPI)":[46],"pertinent":[47],"biofilm":[50],"formation.":[51],"We":[52],"used":[53],"replica":[54],"exchange":[55],"molecular":[56],"dynamics":[57],"(REMD)":[58],"screen":[61],"20":[62],"covalently":[63],"cross-linked":[64],"designs":[65],"with":[66],"varying":[67],"stereochemistry":[68],"and":[69,128,141,178],"selected":[70],"the":[71,91,109,113,159],"most":[72,167],"favorable":[73],"these":[75],"for":[76,191],"massively":[77],"parallel":[78],"on":[80,104],"Folding@home":[81],"explicit":[83],"solvent.":[84],"Markov":[85],"state":[86],"models":[87],"(MSMs)":[88],"built":[89],"trajectory":[92],"data":[93],"reveal":[94],"subtle":[96],"chemical":[97],"modifications":[98],"significant":[102],"effect":[103],"conformational":[105,171],"populations,":[106],"leading":[107],"overall":[110],"stabilization":[111],"target":[114],"structure.":[115],"In":[116],"particular,":[117],"identify":[119],"key":[121],"steric":[122],"between":[124,139],"methyl":[126],"substituent":[127],"valine":[130],"side":[131],"chain":[132],"that":[133],"acts":[134],"allosterically":[136],"shift":[137],"population":[138],"native":[140],"near-native":[142],"states,":[143],"which":[144,162],"could":[145],"be":[146,188],"exploited":[147],"future":[149],"designs.":[150],"Visualization":[151],"mechanism":[154],"aided":[156],"considerably":[157],"by":[158,182],"tICA":[160],"method,":[161],"identifies":[163],"degrees":[164],"freedom":[166],"important":[168],"slow":[170],"transitions.":[172],"The":[173],"combination":[174],"quantitative":[176],"detail":[177],"human":[179],"comprehension":[180],"provided":[181],"MSMs":[183],"suggests":[184],"such":[185],"will":[187],"increasingly":[189],"useful":[190],"design.":[192]},"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2023,"cited_by_count":3},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":8},{"year":2020,"cited_by_count":2},{"year":2019,"cited_by_count":3},{"year":2018,"cited_by_count":4},{"year":2017,"cited_by_count":8},{"year":2016,"cited_by_count":12},{"year":2015,"cited_by_count":5},{"year":2014,"cited_by_count":4}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
