{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,11,3]],"date-time":"2026-11-03T12:38:52Z","timestamp":1793709532599,"version":"4.6.1"},"reference-count":44,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2026,12,1]],"date-time":"2026-12-01T00:00:00Z","timestamp":1796083200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2026,12,1]],"date-time":"2026-12-01T00:00:00Z","timestamp":1796083200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2026,10,2]],"date-time":"2026-10-02T00:00:00Z","timestamp":1790899200000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100003716","name":"Korea Basic Science Institute","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100003716","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003654","name":"Korea Environmental Industry and Technology Institute","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100003654","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003725","name":"National Research Foundation of Korea","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100003725","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002648","name":"The Catholic University of Korea","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100002648","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["New Biotechnology"],"published-print":{"date-parts":[[2026,12]]},"DOI":"10.1016\/j.nbt.2026.10.001","type":"journal-article","created":{"date-parts":[[2026,10,2]],"date-time":"2026-10-02T22:51:12Z","timestamp":1790981472000},"page":"97-106","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":0,"special_numbering":"C","title":["Computational framework for analyzing inhibitory gas access in carbon monoxide dehydrogenases for industrial biocatalysis"],"prefix":"10.1016","volume":"96","author":[{"given":"Sung Heuck","family":"Kang","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Daehyo","family":"Lee","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0589-3368","authenticated-orcid":false,"given":"Mohd Faheem","family":"Khan","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1264-7250","authenticated-orcid":false,"given":"Suk Min","family":"Kim","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.nbt.2026.10.001_bib1","doi-asserted-by":"crossref","first-page":"97","DOI":"10.1016\/j.ijggc.2016.11.002","article-title":"The potential for use of cellulose triacetate membranes in post combustion capture","volume":"55","author":"Lu","year":"2016","journal-title":"Int J Greenh Gas Control"},{"issue":"25","key":"10.1016\/j.nbt.2026.10.001_bib2","doi-asserted-by":"crossref","first-page":"12204","DOI":"10.1021\/ja00078a085","article-title":"Identification of a cyanide binding site in CO dehydrogenase from Clostridium thermoaceticum using EPR and ENDOR spectroscopies","volume":"115","author":"Anderson","year":"1993","journal-title":"J Am Chem Soc"},{"issue":"3","key":"10.1016\/j.nbt.2026.10.001_bib3","doi-asserted-by":"crossref","first-page":"1224","DOI":"10.1128\/jb.155.3.1224-1237.1983","article-title":"Isolation of carbon monoxide dehydrogenase from Acetobacterium woodii and comparison of its properties with those of the Clostridium thermoaceticum enzyme","volume":"155","author":"Ragsdale","year":"1983","journal-title":"J Bacteriol"},{"issue":"2","key":"10.1016\/j.nbt.2026.10.001_bib4","doi-asserted-by":"crossref","first-page":"353","DOI":"10.1016\/j.febslet.2010.12.014","article-title":"Isocyanides inhibit [Fe]-hydrogenase with very high affinity","volume":"585","author":"Shima","year":"2011","journal-title":"FEBS Lett"},{"key":"10.1016\/j.nbt.2026.10.001_bib5","article-title":"Expression and characterization of Pantoea CO dehydrogenase to utilize CO-containing industrial waste gas for expanding the versatility of CO dehydrogenase","volume":"7","author":"Choi","year":"2017","journal-title":"Sci Rep"},{"issue":"33","key":"10.1016\/j.nbt.2026.10.001_bib6","article-title":"Fortification of FeS clusters reshapes anaerobic CO dehydrogenase into an air-viable enzyme through multilayered sealing of O2 tunnels","volume":"64","author":"Kim","year":"2025","journal-title":"Angew Chem Int Ed"},{"issue":"9","key":"10.1016\/j.nbt.2026.10.001_bib7","doi-asserted-by":"crossref","first-page":"807","DOI":"10.1038\/s41929-022-00834-y","article-title":"O2-tolerant CO dehydrogenase via tunnel redesign for the removal of CO from industrial flue gas","volume":"5","author":"Kim","year":"2022","journal-title":"Nat Catal"},{"issue":"10","key":"10.1016\/j.nbt.2026.10.001_bib8","doi-asserted-by":"crossref","first-page":"2047","DOI":"10.1016\/j.joule.2020.08.007","article-title":"Light-independent biological conversion of CO2","volume":"4","author":"Ersan","year":"2020","journal-title":"Joule"},{"issue":"11","key":"10.1016\/j.nbt.2026.10.001_bib9","doi-asserted-by":"crossref","first-page":"928","DOI":"10.1038\/s41929-021-00683-1","article-title":"Uniting biological and chemical strategies for selective CO2 reduction","volume":"4","author":"Shafaat","year":"2021","journal-title":"Nat Catal"},{"issue":"2","key":"10.1016\/j.nbt.2026.10.001_bib10","doi-asserted-by":"crossref","first-page":"814","DOI":"10.1021\/ef700411x","article-title":"A review of recent literature to search for an efficient catalytic process for the conversion of syngas to ethanol","volume":"22","author":"Subramani","year":"2008","journal-title":"Energy Fuels"},{"key":"10.1016\/j.nbt.2026.10.001_bib11","doi-asserted-by":"crossref","first-page":"537","DOI":"10.1016\/j.fuel.2018.03.125","article-title":"The effects of pH and temperature on the acetate production and microbial community compositions by syngas fermentation","volume":"224","author":"Liu","year":"2018","journal-title":"Fuel"},{"key":"10.1016\/j.nbt.2026.10.001_bib12","doi-asserted-by":"crossref","first-page":"1194","DOI":"10.1016\/j.scitotenv.2018.07.263","article-title":"A novel concept for syngas biomethanation by two-stage process: focusing on the selective conversion of syngas to acetate","volume":"645","author":"Luo","year":"2018","journal-title":"Sci Total Environ"},{"issue":"23","key":"10.1016\/j.nbt.2026.10.001_bib13","doi-asserted-by":"crossref","first-page":"10233","DOI":"10.1007\/s00253-013-5281-3","article-title":"In situ hydrogen utilization for high fraction acetate production in mixed culture hollow-fiber membrane biofilm reactor","volume":"97","author":"Zhang","year":"2013","journal-title":"Appl Microbiol Biotechnol"},{"key":"10.1016\/j.nbt.2026.10.001_bib14","doi-asserted-by":"crossref","first-page":"81","DOI":"10.1016\/j.coche.2019.09.001","article-title":"Carbon capture and utilization in the steel industry: challenges and opportunities for chemical engineering","volume":"26","author":"De Ras","year":"2019","journal-title":"Curr Opin Chem Eng"},{"issue":"12","key":"10.1016\/j.nbt.2026.10.001_bib15","doi-asserted-by":"crossref","first-page":"3193","DOI":"10.1039\/C8CS00502H","article-title":"New horizon in C1 chemistry: breaking the selectivity limitation in transformation of syngas and hydrogenation of CO2 into hydrocarbon chemicals and fuels","volume":"48","author":"Zhou","year":"2019","journal-title":"Chem Soc Rev"},{"issue":"5","key":"10.1016\/j.nbt.2026.10.001_bib16","doi-asserted-by":"crossref","first-page":"354","DOI":"10.1038\/s44286-024-00063-z","article-title":"Molar-scale formate production via enzymatic hydration of industrial off-gases","volume":"1","author":"Lee","year":"2024","journal-title":"Nat Chem Eng"},{"key":"10.1016\/j.nbt.2026.10.001_bib17","doi-asserted-by":"crossref","DOI":"10.1016\/j.biortech.2025.132301","article-title":"Effects of impurities on the syngas fermentation: mechanism and future perspectives","volume":"425","author":"Ni","year":"2025","journal-title":"Bioresour Technol"},{"issue":"8","key":"10.1016\/j.nbt.2026.10.001_bib18","doi-asserted-by":"crossref","first-page":"4149","DOI":"10.1021\/cr400461p","article-title":"Structure, function, and mechanism of the nickel metalloenzymes, CO dehydrogenase, and acetyl-CoA synthase","volume":"114","author":"Can","year":"2014","journal-title":"Chem Rev"},{"issue":"12","key":"10.1016\/j.nbt.2026.10.001_bib19","doi-asserted-by":"crossref","first-page":"1873","DOI":"10.1016\/j.bbapap.2008.08.012","article-title":"Acetogenesis and the Wood\u2013Ljungdahl pathway of CO2 fixation","volume":"1784","author":"Ragsdale","year":"2008","journal-title":"Biochim Biophys Acta Proteins Proteom"},{"issue":"48","key":"10.1016\/j.nbt.2026.10.001_bib20","doi-asserted-by":"crossref","first-page":"15466","DOI":"10.1002\/anie.201709261","article-title":"CODH-IV: a high-efficiency CO-scavenging CO dehydrogenase with resistance to O2","volume":"56","author":"Domnik","year":"2017","journal-title":"Angew Chem Int Ed"},{"issue":"21","key":"10.1016\/j.nbt.2026.10.001_bib21","doi-asserted-by":"crossref","first-page":"4402","DOI":"10.1021\/bi2002289","article-title":"The moderately efficient enzyme: evolutionary and physicochemical trends shaping enzyme parameters","volume":"50","author":"Bar-Even","year":"2011","journal-title":"Biochemistry"},{"issue":"6","key":"10.1016\/j.nbt.2026.10.001_bib22","doi-asserted-by":"crossref","DOI":"10.1016\/j.biotechadv.2019.04.008","article-title":"Engineering enzyme access tunnels","volume":"37","author":"Kokkonen","year":"2019","journal-title":"Biotechnol Adv"},{"issue":"17","key":"10.1016\/j.nbt.2026.10.001_bib23","doi-asserted-by":"crossref","first-page":"5382","DOI":"10.1021\/ja037776v","article-title":"Carbon monoxide induced decomposition of the active site [Ni\u20134Fe\u20135S] cluster of CO dehydrogenase","volume":"126","author":"Dobbek","year":"2004","journal-title":"J Am Chem Soc"},{"issue":"20","key":"10.1016\/j.nbt.2026.10.001_bib24","doi-asserted-by":"crossref","first-page":"13131","DOI":"10.1021\/acscatal.2c02221","article-title":"On the kinetics of CO2 reduction by Ni, Fe-CO dehydrogenases","volume":"12","author":"Ruickoldt","year":"2022","journal-title":"ACS Catal"},{"issue":"8016","key":"10.1016\/j.nbt.2026.10.001_bib25","doi-asserted-by":"crossref","first-page":"493","DOI":"10.1038\/s41586-024-07487-w","article-title":"Accurate structure prediction of biomolecular interactions with AlphaFold 3","volume":"630","author":"Abramson","year":"2024","journal-title":"Nature"},{"key":"10.1016\/j.nbt.2026.10.001_bib26","doi-asserted-by":"crossref","DOI":"10.1016\/j.biortech.2023.130248","article-title":"Tunnel engineering of gas-converting enzymes for inhibitor retardation and substrate acceleration","volume":"394","author":"Kim","year":"2024","journal-title":"Bioresour Technol"},{"issue":"3","key":"10.1016\/j.nbt.2026.10.001_bib27","doi-asserted-by":"crossref","first-page":"505","DOI":"10.1109\/TCBB.2015.2459680","article-title":"CAVER: algorithms for analyzing dynamics of tunnels in macromolecules","volume":"13","author":"Pavelka","year":"2016","journal-title":"IEEE Trans Comput Biol Bioinform"},{"issue":"10","key":"10.1016\/j.nbt.2026.10.001_bib28","doi-asserted-by":"crossref","DOI":"10.1371\/journal.pcbi.1002708","article-title":"CAVER 3.0: a tool for the analysis of transport pathways in dynamic protein structures","volume":"8","author":"Chovancova","year":"2012","journal-title":"PLoS Comput Biol"},{"issue":"5","key":"10.1016\/j.nbt.2026.10.001_bib29","doi-asserted-by":"crossref","first-page":"1625","DOI":"10.1109\/TCBB.2019.2907492","article-title":"CaverDock: a novel method for the fast analysis of ligand transport","volume":"17","author":"Filipovic","year":"2020","journal-title":"IEEE Trans Comput Biol Bioinform"},{"issue":"23","key":"10.1016\/j.nbt.2026.10.001_bib30","doi-asserted-by":"crossref","first-page":"4986","DOI":"10.1093\/bioinformatics\/btz386","article-title":"CaverDock: a molecular docking-based tool to analyse ligand transport through protein tunnels and channels","volume":"35","author":"Vavra","year":"2019","journal-title":"Bioinformatics"},{"issue":"5","key":"10.1016\/j.nbt.2026.10.001_bib31","doi-asserted-by":"crossref","first-page":"1095","DOI":"10.1002\/med.21430","article-title":"Enzyme tunnels and gates as relevant targets in drug design","volume":"37","author":"Marques","year":"2017","journal-title":"Med Res Rev"},{"issue":"7","key":"10.1016\/j.nbt.2026.10.001_bib32","doi-asserted-by":"crossref","first-page":"539","DOI":"10.1021\/ar020047k","article-title":"Enzymes with molecular tunnels","volume":"36","author":"Raushel","year":"2003","journal-title":"Acc Chem Res"},{"issue":"18","key":"10.1016\/j.nbt.2026.10.001_bib33","doi-asserted-by":"crossref","DOI":"10.1002\/anie.202117000","article-title":"A morphing [4Fe\u20133S\u2013nO]-cluster within a carbon monoxide dehydrogenase scaffold","volume":"61","author":"Jeoung","year":"2022","journal-title":"Angew Chem Int Ed"},{"issue":"5533","key":"10.1016\/j.nbt.2026.10.001_bib34","doi-asserted-by":"crossref","first-page":"1281","DOI":"10.1126\/science.1061500","article-title":"Crystal structure of a carbon monoxide dehydrogenase reveals a [Ni\u20134Fe\u20135S] cluster","volume":"293","author":"Dobbek","year":"2001","journal-title":"Science"},{"issue":"24","key":"10.1016\/j.nbt.2026.10.001_bib35","doi-asserted-by":"crossref","first-page":"2797","DOI":"10.1021\/acs.biochem.2c00425","article-title":"Structural insights into microbial one-carbon metabolic enzymes Ni\u2013Fe\u2013S-dependent carbon monoxide dehydrogenases and acetyl-CoA synthases","volume":"61","author":"Biester","year":"2022","journal-title":"Biochemistry"},{"issue":"5","key":"10.1016\/j.nbt.2026.10.001_bib36","doi-asserted-by":"crossref","first-page":"3162","DOI":"10.1039\/C5SC04554A","article-title":"When the inhibitor tells more than the substrate: the cyanide-bound state of a carbon monoxide dehydrogenase","volume":"7","author":"Ciaccafava","year":"2016","journal-title":"Chem Sci"},{"issue":"9","key":"10.1016\/j.nbt.2026.10.001_bib37","doi-asserted-by":"crossref","first-page":"2185","DOI":"10.1021\/acs.accounts.1c00058","article-title":"Small-molecule tunnels in metalloenzymes viewed as extensions of the active site","volume":"54","author":"Banerjee","year":"2021","journal-title":"Acc Chem Res"},{"issue":"4","key":"10.1016\/j.nbt.2026.10.001_bib38","doi-asserted-by":"crossref","first-page":"599","DOI":"10.1002\/prot.24772","article-title":"Substrate tunnels in enzymes: structure-function relationships and computational methodology","volume":"83","author":"Kingsley","year":"2015","journal-title":"Proteins"},{"key":"10.1016\/j.nbt.2026.10.001_bib39","doi-asserted-by":"crossref","first-page":"294","DOI":"10.1016\/j.apenergy.2015.05.095","article-title":"A review on biomass gasification syngas cleanup","volume":"155","author":"Abdoulmoumine","year":"2015","journal-title":"Appl Energy"},{"key":"10.1016\/j.nbt.2026.10.001_bib40","doi-asserted-by":"crossref","DOI":"10.1016\/j.biombioe.2021.106031","article-title":"Small- to medium-scale deep syngas purification: Biomass-to-liquids multi-contaminant removal demonstration","volume":"148","author":"Frilund","year":"2021","journal-title":"Biomass Bioenergy"},{"key":"10.1016\/j.nbt.2026.10.001_bib41","doi-asserted-by":"crossref","DOI":"10.1016\/j.biortech.2025.132401","article-title":"Diversifying product portfolio of syngas fermentation in addition to ethanol production by using Clostridium species","volume":"427","author":"Devi","year":"2025","journal-title":"Bioresour Technol"},{"issue":"7873","key":"10.1016\/j.nbt.2026.10.001_bib42","doi-asserted-by":"crossref","first-page":"583","DOI":"10.1038\/s41586-021-03819-2","article-title":"Highly accurate protein structure prediction with AlphaFold","volume":"596","author":"Jumper","year":"2021","journal-title":"Nature"},{"issue":"D1","key":"10.1016\/j.nbt.2026.10.001_bib43","doi-asserted-by":"crossref","first-page":"D439","DOI":"10.1093\/nar\/gkab1061","article-title":"AlphaFold protein structure database: massively expanding the structural coverage of protein-sequence space with high-accuracy models","volume":"50","author":"Varadi","year":"2022","journal-title":"Nucleic Acids Res"},{"issue":"11","key":"10.1016\/j.nbt.2026.10.001_bib44","doi-asserted-by":"crossref","first-page":"6516","DOI":"10.1021\/acs.chemrev.5b00562","article-title":"Protein ensembles: how does nature harness thermodynamic fluctuations for life? The diverse functional roles of conformational ensembles in the cell","volume":"116","author":"Wei","year":"2016","journal-title":"Chem Rev"}],"container-title":["New Biotechnology"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1871678426001135?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1871678426001135?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2026,11,3]],"date-time":"2026-11-03T12:20:07Z","timestamp":1793708407000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1871678426001135"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,12]]},"references-count":44,"alternative-id":["S1871678426001135"],"URL":"https:\/\/doi.org\/10.1016\/j.nbt.2026.10.001","relation":{},"ISSN":["1871-6784"],"issn-type":[{"value":"1871-6784","type":"print"}],"subject":[],"published":{"date-parts":[[2026,12]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Computational framework for analyzing inhibitory gas access in carbon monoxide dehydrogenases for industrial biocatalysis","name":"articletitle","label":"Article Title"},{"value":"New Biotechnology","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.nbt.2026.10.001","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2026 The Authors. Published by Elsevier B.V.","name":"copyright","label":"Copyright"}]}}