{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,1]],"date-time":"2026-07-01T22:00:20Z","timestamp":1782943220305,"version":"3.54.5"},"reference-count":72,"publisher":"Royal Society of Chemistry (RSC)","issue":"10","license":[{"start":{"date-parts":[[2026,8,13]],"date-time":"2026-08-13T00:00:00Z","timestamp":1786579200000},"content-version":"am","delay-in-days":589,"URL":"http:\/\/rsc.li\/journals-terms-of-use"}],"funder":[{"DOI":"10.13039\/501100007137","name":"Helse Nord RHF","doi-asserted-by":"publisher","award":["HNF 1514-20"],"award-info":[{"award-number":["HNF 1514-20"]}],"id":[{"id":"10.13039\/501100007137","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100007514","name":"Universit\u00e0 di Pisa","doi-asserted-by":"publisher","award":["PRA_2022_19"],"award-info":[{"award-number":["PRA_2022_19"]}],"id":[{"id":"10.13039\/501100007514","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100031478","name":"NextGenerationEU","doi-asserted-by":"publisher","award":["I53C22000780001"],"award-info":[{"award-number":["I53C22000780001"]}],"id":[{"id":"10.13039\/100031478","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002426","name":"Fondazione Telethon","doi-asserted-by":"publisher","award":["5737"],"award-info":[{"award-number":["5737"]}],"id":[{"id":"10.13039\/501100002426","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["RSC Med. Chem."],"abstract":"<jats:p>\n                    The emergence of multidrug-resistant pathogens, particularly\n                    <jats:italic>Pseudomonas aeruginosa<\/jats:italic>\n                    , represents a global health concern. Inhibiting its virulence factor LasB with\n                    <jats:italic>N<\/jats:italic>\n                    -benzyloxy amino acid hydroxamates offers a promising anti-virulence strategy.\n                  <\/jats:p>","DOI":"10.1039\/d5md00393h","type":"journal-article","created":{"date-parts":[[2025,8,13]],"date-time":"2025-08-13T14:23:58Z","timestamp":1755095038000},"page":"4973-4996","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Identification of novel\n                    <i>N<\/i>\n                    -benzyloxy-amino acid hydroxamates as inhibitors of the virulence factor LasB from\n                    <i>Pseudomonas aeruginosa<\/i>"],"prefix":"10.1039","volume":"16","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-5051-1584","authenticated-orcid":false,"given":"Riccardo","family":"Di Leo","sequence":"first","affiliation":[{"name":"Department of Pharmacy, University of Pisa, via Bonanno 6, 56126 Pisa, Italy"},{"name":"Institute of Clinical Physiology, National Research Council (CNR), via Moruzzi 1, 56124 Pisa, Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0008-3255-5656","authenticated-orcid":false,"given":"Enrico","family":"Crispino","sequence":"additional","affiliation":[{"name":"Department of Pharmacy, University of Pisa, via Bonanno 6, 56126 Pisa, Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Doretta","family":"Cuffaro","sequence":"additional","affiliation":[{"name":"Department of Pharmacy, University of Pisa, via Bonanno 6, 56126 Pisa, Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8043-9029","authenticated-orcid":false,"given":"Giuseppantonio","family":"Maisetta","sequence":"additional","affiliation":[{"name":"Department of Translational Research and New Technologies in Medicine and Surgery, University of Pisa, Via S. Zeno 37-39, 56123 Pisa, Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1879-7276","authenticated-orcid":false,"given":"Andrea","family":"Bertacca","sequence":"additional","affiliation":[{"name":"Department of Translational Research and New Technologies in Medicine and Surgery, University of Pisa, Via S. Zeno 37-39, 56123 Pisa, Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Marta","family":"Bianchi","sequence":"additional","affiliation":[{"name":"Department of Translational Research and New Technologies in Medicine and Surgery, University of Pisa, Via S. Zeno 37-39, 56123 Pisa, Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Giovanna","family":"Batoni","sequence":"additional","affiliation":[{"name":"Department of Translational Research and New Technologies in Medicine and Surgery, University of Pisa, Via S. Zeno 37-39, 56123 Pisa, Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Imin","family":"Wushur","sequence":"additional","affiliation":[{"name":"Department of Medical Biology, Faculty of Health Sciences, UiT\u2014The Arctic University of Norway, NO-9037 Troms\u00f8, Norway"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Fatema Amatur","family":"Rahman","sequence":"additional","affiliation":[{"name":"Department of Medical Biology, Faculty of Health Sciences, UiT\u2014The Arctic University of Norway, NO-9037 Troms\u00f8, Norway"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jan-Olof","family":"Winberg","sequence":"additional","affiliation":[{"name":"Department of Medical Biology, Faculty of Health Sciences, UiT\u2014The Arctic University of Norway, NO-9037 Troms\u00f8, Norway"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ingebrigt","family":"Sylte","sequence":"additional","affiliation":[{"name":"Department of Medical Biology, Faculty of Health Sciences, UiT\u2014The Arctic University of Norway, NO-9037 Troms\u00f8, Norway"},{"name":"Center for Research and Education, University Hospital of North Norway (UNN), Norway"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Armando","family":"Rossello","sequence":"additional","affiliation":[{"name":"Department of Pharmacy, University of Pisa, via Bonanno 6, 56126 Pisa, Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2669-5376","authenticated-orcid":false,"given":"Elisa","family":"Nuti","sequence":"additional","affiliation":[{"name":"Department of Pharmacy, University of Pisa, via Bonanno 6, 56126 Pisa, Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2025]]},"reference":[{"key":"D5MD00393H\/cit1\/1","doi-asserted-by":"crossref","first-page":"2321","DOI":"10.2147\/IDR.S177247","volume":"11","author":"Haque","year":"2018","journal-title":"Infect. Drug Resist."},{"key":"D5MD00393H\/cit2\/1","doi-asserted-by":"crossref","first-page":"5867","DOI":"10.1039\/D0OB01125H","volume":"18","author":"Rodr\u00edguez-Alvarado","year":"2020","journal-title":"Org. Biomol. Chem."},{"key":"D5MD00393H\/cit3\/1","doi-asserted-by":"crossref","first-page":"2323","DOI":"10.1001\/jama.2009.1754","volume":"302","author":"Vincent","year":"2009","journal-title":"JAMA, J. Am. Med. Assoc."},{"key":"D5MD00393H\/cit4\/1","doi-asserted-by":"crossref","first-page":"474","DOI":"10.1038\/s41579-025-01167-w","volume":"23","author":"Theuretzbacher","year":"2025","journal-title":"Nat. Rev. Microbiol."},{"key":"D5MD00393H\/cit5\/1","first-page":"725","volume":"50","author":"Safdar","year":"2005","journal-title":"Respir. Care"},{"key":"D5MD00393H\/cit6\/1","doi-asserted-by":"crossref","first-page":"63","DOI":"10.1016\/S0195-6701(96)90030-4","volume":"33","author":"Cobben","year":"1996","journal-title":"J. Hosp. Infect."},{"key":"D5MD00393H\/cit7\/1","doi-asserted-by":"crossref","first-page":"23","DOI":"10.1053\/jhin.2000.0800","volume":"46","author":"Schelenz","year":"2000","journal-title":"J. Hosp. Infect."},{"key":"D5MD00393H\/cit8\/1","doi-asserted-by":"crossref","first-page":"478","DOI":"10.1016\/j.apjtb.2017.01.019","volume":"7","author":"Khan","year":"2017","journal-title":"Asian Pac. J. Trop. Biomed."},{"key":"D5MD00393H\/cit9\/1","doi-asserted-by":"crossref","first-page":"199","DOI":"10.1038\/s41392-022-01056-1","volume":"7","author":"Qin","year":"2022","journal-title":"Signal Transduction Targeted Ther."},{"key":"D5MD00393H\/cit10\/1","doi-asserted-by":"crossref","first-page":"e00138-18","DOI":"10.1128\/CMR.00138-18","volume":"32","author":"Malhotra","year":"2019","journal-title":"Clin. Microbiol. Rev."},{"key":"D5MD00393H\/cit11\/1","doi-asserted-by":"crossref","first-page":"2126","DOI":"10.1099\/mic.0.000393","volume":"162","author":"Woo","year":"2016","journal-title":"Microbiology"},{"key":"D5MD00393H\/cit12\/1","doi-asserted-by":"crossref","first-page":"e0178178","DOI":"10.1371\/journal.pone.0178178","volume":"12","author":"Ferreiro","year":"2017","journal-title":"PLoS One"},{"key":"D5MD00393H\/cit13\/1","doi-asserted-by":"crossref","first-page":"688","DOI":"10.3390\/antibiotics13080688","volume":"13","author":"David","year":"2024","journal-title":"Antibiotics"},{"key":"D5MD00393H\/cit14\/1","doi-asserted-by":"crossref","first-page":"2115","DOI":"10.3390\/microorganisms12112115","volume":"12","author":"H\u00f8iby","year":"2024","journal-title":"Microorganisms"},{"key":"D5MD00393H\/cit15\/1","doi-asserted-by":"crossref","first-page":"177","DOI":"10.1016\/j.biotechadv.2018.11.013","volume":"37","author":"Pang","year":"2019","journal-title":"Biotechnol. Adv."},{"key":"D5MD00393H\/cit16\/1","doi-asserted-by":"crossref","first-page":"5929","DOI":"10.1021\/acs.jmedchem.5b01698","volume":"59","author":"Wagner","year":"2016","journal-title":"J. Med. Chem."},{"key":"D5MD00393H\/cit17\/1","doi-asserted-by":"crossref","first-page":"2607","DOI":"10.3762\/bjoc.14.239","volume":"14","author":"Calvert","year":"2018","journal-title":"Beilstein J. Org. Chem."},{"key":"D5MD00393H\/cit18\/1","first-page":"393","volume":"69","author":"Khalifa","year":"2011","journal-title":"Ann. Biol. Clin."},{"key":"D5MD00393H\/cit19\/1","doi-asserted-by":"crossref","first-page":"1491","DOI":"10.1111\/j.1462-5822.2008.01142.x","volume":"10","author":"Kida","year":"2008","journal-title":"Cell. Microbiol."},{"key":"D5MD00393H\/cit20\/1","doi-asserted-by":"crossref","first-page":"582","DOI":"10.1016\/B978-0-12-382219-2.00120-4","volume-title":"Handbook of Proteolytic Enzymes","author":"Kessler","year":"2013","unstructured":"E.Kessler  and  D. E.Ohman , in  Handbook of Proteolytic Enzymes ,  Elsevier ,  2013 ,  pp. 582\u2013592"},{"key":"D5MD00393H\/cit21\/1","doi-asserted-by":"crossref","first-page":"S998","DOI":"10.1093\/clinids\/5.Supplement_5.S998","volume":"5","author":"Wretlind","year":"1983","journal-title":"Clin. Infect. Dis."},{"key":"D5MD00393H\/cit22\/1","doi-asserted-by":"crossref","first-page":"1614","DOI":"10.3390\/microorganisms11061614","volume":"11","author":"Sharma","year":"2023","journal-title":"Microorganisms"},{"key":"D5MD00393H\/cit23\/1","doi-asserted-by":"crossref","first-page":"2205","DOI":"10.1021\/acscentsci.3c01102","volume":"9","author":"Konstantinovi\u0107","year":"2023","journal-title":"ACS Cent. Sci."},{"key":"D5MD00393H\/cit24\/1","doi-asserted-by":"crossref","first-page":"D624","DOI":"10.1093\/nar\/gkx1134","volume":"46","author":"Rawlings","year":"2018","journal-title":"Nucleic Acids Res."},{"key":"D5MD00393H\/cit25\/1","doi-asserted-by":"crossref","first-page":"7","DOI":"10.1111\/j.1747-0285.2008.00757.x","volume":"73","author":"Adekoya","year":"2009","journal-title":"Chem. Biol. Drug Des."},{"key":"D5MD00393H\/cit26\/1","doi-asserted-by":"crossref","first-page":"2670","DOI":"10.1128\/AAC.00776-10","volume":"55","author":"Cathcart","year":"2011","journal-title":"Antimicrob. Agents Chemother."},{"key":"D5MD00393H\/cit27\/1","doi-asserted-by":"crossref","first-page":"483","DOI":"10.1016\/j.chembiol.2015.03.012","volume":"22","author":"Zhu","year":"2015","journal-title":"Chem. Biol."},{"key":"D5MD00393H\/cit28\/1","doi-asserted-by":"crossref","first-page":"7152","DOI":"10.1021\/bi00146a017","volume":"31","author":"Grobelny","year":"1992","journal-title":"Biochemistry"},{"key":"D5MD00393H\/cit29\/1","doi-asserted-by":"crossref","first-page":"270","DOI":"10.1021\/acsinfecdis.2c00418","volume":"9","author":"Everett","year":"2023","journal-title":"ACS Infect. Dis."},{"key":"D5MD00393H\/cit30\/1","doi-asserted-by":"crossref","first-page":"3197","DOI":"10.1039\/c3cc41191e","volume":"49","author":"Fullagar","year":"2013","journal-title":"Chem. Commun."},{"key":"D5MD00393H\/cit31\/1","doi-asserted-by":"crossref","first-page":"668","DOI":"10.1021\/ml300128f","volume":"3","author":"Garner","year":"2012","journal-title":"ACS Med. Chem. Lett."},{"key":"D5MD00393H\/cit32\/1","doi-asserted-by":"crossref","first-page":"2661","DOI":"10.2174\/0929867325666180326164104","volume":"26","author":"Camodeca","year":"2019","journal-title":"Curr. Med. Chem."},{"key":"D5MD00393H\/cit33\/1","doi-asserted-by":"crossref","first-page":"714","DOI":"10.1124\/pharmrev.121.000349","volume":"74","author":"De Almeida","year":"2022","journal-title":"Pharmacol. Rev."},{"key":"D5MD00393H\/cit34\/1","doi-asserted-by":"crossref","first-page":"376","DOI":"10.3390\/ph13110376","volume":"13","author":"Cuffaro","year":"2020","journal-title":"Pharmaceuticals"},{"key":"D5MD00393H\/cit35\/1","doi-asserted-by":"crossref","first-page":"4378","DOI":"10.3390\/molecules28114378","volume":"28","author":"Di Leo","year":"2023","journal-title":"Molecules"},{"key":"D5MD00393H\/cit36\/1","doi-asserted-by":"crossref","first-page":"10205","DOI":"10.1021\/jm500505f","volume":"57","author":"Fabre","year":"2014","journal-title":"J. Med. Chem."},{"key":"D5MD00393H\/cit37\/1","doi-asserted-by":"crossref","first-page":"1010","DOI":"10.1021\/acsinfecdis.1c00628","volume":"8","author":"Kaya","year":"2022","journal-title":"ACS Infect. Dis."},{"key":"D5MD00393H\/cit38\/1","doi-asserted-by":"crossref","first-page":"141","DOI":"10.1016\/j.ejmech.2015.11.019","volume":"108","author":"Sj\u00f8li","year":"2016","journal-title":"Eur. J. Med. Chem."},{"key":"D5MD00393H\/cit39\/1","doi-asserted-by":"crossref","first-page":"2298","DOI":"10.1016\/j.bmc.2007.01.023","volume":"15","author":"Nuti","year":"2007","journal-title":"Bioorg. Med. Chem."},{"key":"D5MD00393H\/cit40\/1","doi-asserted-by":"crossref","first-page":"340","DOI":"10.1016\/j.ejmech.2014.10.009","volume":"89","author":"Adekoya","year":"2015","journal-title":"Eur. J. Med. Chem."},{"key":"D5MD00393H\/cit41\/1","doi-asserted-by":"crossref","first-page":"108977","DOI":"10.1016\/j.jmgm.2025.108977","volume":"137","author":"Sabishiro","year":"2025","journal-title":"J. Mol. Graphics Modell."},{"key":"D5MD00393H\/cit42\/1","doi-asserted-by":"crossref","first-page":"1383","DOI":"10.1002\/ejoc.200700929","volume":"2008","author":"Mitani","year":"2008","journal-title":"Eur. J. Org. Chem."},{"key":"D5MD00393H\/cit43\/1","doi-asserted-by":"crossref","first-page":"2408","DOI":"10.1021\/bm800395e","volume":"9","author":"Gu","year":"2008","journal-title":"Biomacromolecules"},{"key":"D5MD00393H\/cit44\/1","doi-asserted-by":"crossref","first-page":"1911","DOI":"10.1021\/ol049671i","volume":"6","author":"McNabb","year":"2004","journal-title":"Org. Lett."},{"key":"D5MD00393H\/cit45\/1","doi-asserted-by":"crossref","first-page":"405","DOI":"10.1002\/adsc.202100964","volume":"364","author":"Venugopal","year":"2022","journal-title":"Adv. Synth. Catal."},{"key":"D5MD00393H\/cit46\/1","doi-asserted-by":"crossref","first-page":"1249","DOI":"10.3390\/molecules27041249","volume":"27","author":"Baldini","year":"2022","journal-title":"Molecules"},{"key":"D5MD00393H\/cit47\/1","doi-asserted-by":"crossref","first-page":"4421","DOI":"10.1021\/acs.jmedchem.8b00096","volume":"61","author":"Nuti","year":"2018","journal-title":"J. Med. Chem."},{"key":"D5MD00393H\/cit48\/1","doi-asserted-by":"crossref","first-page":"1367","DOI":"10.1248\/cpb.56.1367","volume":"56","author":"Naito","year":"2008","journal-title":"Chem. Pharm. Bull."},{"key":"D5MD00393H\/cit49\/1","doi-asserted-by":"crossref","first-page":"323","DOI":"10.1002\/cbic.200800539","volume":"10","author":"M\u00fcller","year":"2009","journal-title":"ChemBioChem"},{"key":"D5MD00393H\/cit50\/1","doi-asserted-by":"crossref","first-page":"271","DOI":"10.1016\/j.ejmech.2012.02.028","volume":"51","author":"Kawai","year":"2012","journal-title":"Eur. J. Med. Chem."},{"key":"D5MD00393H\/cit51\/1","doi-asserted-by":"crossref","first-page":"105","DOI":"10.1016\/0022-2836(82)90515-0","volume":"157","author":"Kyte","year":"1982","journal-title":"J. Mol. Biol."},{"key":"D5MD00393H\/cit52\/1","doi-asserted-by":"crossref","first-page":"7224","DOI":"10.1021\/acs.jmedchem.5b00367","volume":"58","author":"Nuti","year":"2015","journal-title":"J. Med. Chem."},{"key":"D5MD00393H\/cit53\/1","doi-asserted-by":"crossref","first-page":"1313","DOI":"10.3390\/cells9051313","volume":"9","author":"Raeeszadeh-Sarmazdeh","year":"2020","journal-title":"Cells"},{"key":"D5MD00393H\/cit54\/1","doi-asserted-by":"crossref","first-page":"166","DOI":"10.1016\/j.ab.2003.12.035","volume":"328","author":"Neumann","year":"2004","journal-title":"Anal. Biochem."},{"key":"D5MD00393H\/cit55\/1","doi-asserted-by":"crossref","first-page":"811","DOI":"10.1042\/BST20180363","volume":"47","author":"Gifford","year":"2019","journal-title":"Biochem. Soc. Trans."},{"key":"D5MD00393H\/cit56\/1","doi-asserted-by":"crossref","first-page":"227","DOI":"10.1139\/cjm-2013-0667","volume":"60","author":"Yu","year":"2014","journal-title":"Can. J. Microbiol."},{"key":"D5MD00393H\/cit57\/1","doi-asserted-by":"crossref","first-page":"10385","DOI":"10.1021\/acs.jmedchem.8b00540","volume":"61","author":"Soukarieh","year":"2018","journal-title":"J. Med. Chem."},{"key":"D5MD00393H\/cit58\/1","doi-asserted-by":"crossref","first-page":"4419","DOI":"10.1021\/acs.joc.5b00241","volume":"80","author":"Lin","year":"2015","journal-title":"J. Org. Chem."},{"key":"D5MD00393H\/cit59\/1","doi-asserted-by":"crossref","first-page":"192","DOI":"10.1016\/j.tetlet.2014.11.072","volume":"56","author":"Ji","year":"2015","journal-title":"Tetrahedron Lett."},{"key":"D5MD00393H\/cit60\/1","doi-asserted-by":"crossref","first-page":"664","DOI":"10.1021\/jm990226g","volume":"43","author":"Ganellin","year":"2000","journal-title":"J. Med. Chem."},{"key":"D5MD00393H\/cit61\/1","doi-asserted-by":"crossref","first-page":"1175","DOI":"10.1002\/jlac.1990199001215","volume":"1990","author":"Gibbons","year":"1990","journal-title":"Liebigs Ann. Chem."},{"key":"D5MD00393H\/cit62\/1","doi-asserted-by":"crossref","first-page":"573","DOI":"10.1021\/ol052700k","volume":"8","author":"Bowman","year":"2006","journal-title":"Org. Lett."},{"key":"D5MD00393H\/cit63\/1","doi-asserted-by":"crossref","first-page":"11225","DOI":"10.1002\/chem.201403195","volume":"20","author":"Busto","year":"2014","journal-title":"Chem. \u2013 Eur. J."},{"key":"D5MD00393H\/cit64\/1","doi-asserted-by":"crossref","first-page":"819","DOI":"10.1080\/14756366.2021.1901088","volume":"36","author":"Rahman","year":"2021","journal-title":"J. Enzyme Inhib. Med. Chem."},{"key":"D5MD00393H\/cit67\/1","doi-asserted-by":"crossref","first-page":"534","DOI":"10.1107\/97809553602060000864","volume-title":"International Tables for Crystallography","volume":"F","author":"Bell","year":"2012","unstructured":"J. A.Bell ,  Y.Cao ,  J. R.Gunn ,  T.Day ,  E.Gallicchio ,  Z.Zhou ,  R.Levy  and  R.Farid ,  International Tables for Crystallography ,  Wiley ,  2012 , ch. 18.10,  vol. F ,  pp. 534\u2013538"},{"key":"D5MD00393H\/cit68\/1","volume-title":"Schr\u00f6dinger Release 2016-3: Schr\u00f6dinger Suite 2016-3 Protein Preparation Wizard; Epik","year":"2016","unstructured":"Schr\u00f6dinger Release 2016-3: Schr\u00f6dinger Suite 2016-3 Protein Preparation Wizard; Epik , Schr\u00f6dinger, LLC: New York, NY, USA; and Impact, Schr\u00f6dinger, LLC: New York, NY, USA; Prime, Schr\u00f6dinger, LLC: New York, NY, USA,  2016"},{"key":"D5MD00393H\/cit69\/1","doi-asserted-by":"crossref","first-page":"1274","DOI":"10.1093\/bioinformatics\/btu789","volume":"31","author":"Westbrook","year":"2015","journal-title":"Bioinformatics"},{"key":"D5MD00393H\/cit70\/1","doi-asserted-by":"crossref","first-page":"525","DOI":"10.1021\/ct100578z","volume":"7","author":"Olsson","year":"2011","journal-title":"J. Chem. Theory Comput."},{"key":"D5MD00393H\/cit71\/1","doi-asserted-by":"crossref","first-page":"2284","DOI":"10.1021\/ct200133y","volume":"7","author":"S\u00f8ndergaard","year":"2011","journal-title":"J. Chem. Theory Comput."},{"key":"D5MD00393H\/cit74\/1","doi-asserted-by":"crossref","first-page":"107748","DOI":"10.1016\/j.compbiolchem.2022.107748","volume":"100","author":"Anil","year":"2022","journal-title":"Comput. Biol. Chem."},{"key":"D5MD00393H\/cit75\/1","doi-asserted-by":"crossref","first-page":"105225","DOI":"10.1016\/j.bioorg.2021.105225","volume":"115","author":"Ozten","year":"2021","journal-title":"Bioorg. Chem."},{"key":"D5MD00393H\/cit76\/1","doi-asserted-by":"crossref","first-page":"4177","DOI":"10.1063\/1.467468","volume":"101","author":"Martyna","year":"1994","journal-title":"J. Chem. Phys."}],"container-title":["RSC Medicinal Chemistry"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/en\/content\/articlepdf\/2025\/MD\/D5MD00393H","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,7,1]],"date-time":"2026-07-01T21:27:49Z","timestamp":1782941269000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.rsc.org\/md\/article\/16\/10\/4973-4996\/896741"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025]]},"references-count":72,"journal-issue":{"issue":"10","published-print":{"date-parts":[[2025,10,15]]}},"URL":"https:\/\/doi.org\/10.1039\/d5md00393h","relation":{},"ISSN":["2632-8682"],"issn-type":[{"value":"2632-8682","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025]]}}}