{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,1]],"date-time":"2026-08-01T19:41:28Z","timestamp":1785613288543,"version":"3.56.0"},"reference-count":55,"publisher":"Springer Science and Business Media LLC","issue":"4","license":[{"start":{"date-parts":[[2023,3,6]],"date-time":"2023-03-06T00:00:00Z","timestamp":1678060800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.springernature.com\/gp\/researchers\/text-and-data-mining"},{"start":{"date-parts":[[2023,3,6]],"date-time":"2023-03-06T00:00:00Z","timestamp":1678060800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/www.springernature.com\/gp\/researchers\/text-and-data-mining"}],"content-domain":{"domain":["link.springer.com"],"crossmark-restriction":false},"short-container-title":["J Mol Model"],"published-print":{"date-parts":[[2023,4]]},"DOI":"10.1007\/s00894-023-05487-7","type":"journal-article","created":{"date-parts":[[2023,3,6]],"date-time":"2023-03-06T15:03:13Z","timestamp":1678114993000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":7,"title":["Mutational analysis of catalytic site domain of CCHFV L RNA segment"],"prefix":"10.1007","volume":"29","author":[{"given":"Neha","family":"Kaushal","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6581-9346","authenticated-orcid":false,"given":"Manoj","family":"Baranwal","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"297","published-online":{"date-parts":[[2023,3,6]]},"reference":[{"key":"5487_CR1","doi-asserted-by":"publisher","first-page":"1","DOI":"10.3389\/fmicb.2019.01822","volume":"10","author":"N Shrivastava","year":"2019","unstructured":"Shrivastava N, Shrivastava A, Ninawe SM et al (2019) Development of multispecies recombinant nucleoprotein-based indirect elisa for high-throughput screening of crimean-congo hemorrhagic fever virus-specific antibodies. Front Microbiol 10:1\u201314. https:\/\/doi.org\/10.3389\/fmicb.2019.01822","journal-title":"Front Microbiol"},{"key":"5487_CR2","doi-asserted-by":"publisher","first-page":"285","DOI":"10.4103\/0974-777X.83537","volume":"3","author":"SB Appannanavar","year":"2011","unstructured":"Appannanavar SB, Mishra B (2011) An update on crimean congo hemorrhagic fever. J Glob Infect Dis 3:285\u2013292. https:\/\/doi.org\/10.4103\/0974-777X.83537","journal-title":"J Glob Infect Dis"},{"key":"5487_CR3","unstructured":"ECDC (2022) Factsheet about Crimean-Congo haemorrhagic fever. In: Eur Cent Dis Prev Control. https:\/\/www.ecdc.europa.eu\/en\/crimean-congo-haemorrhagic-fever\/facts\/factsheet. Accessed 13 Sep 2022"},{"key":"5487_CR4","doi-asserted-by":"publisher","first-page":"39","DOI":"10.4103\/0022-3859.93251","volume":"58","author":"C Lahariya","year":"2012","unstructured":"Lahariya C, Goel MK et al (2012) Emergence of viral hemorrhagic fevers: is recent outbreak of crimean congo hemorrhagic fever in India an indication. J Postgrad Med 58:39","journal-title":"J Postgrad Med"},{"key":"5487_CR5","unstructured":"WHO (2023) Crimean-Congo haemorrhagic fever. In: World Heal Organ. https:\/\/www.who.int\/health-topics\/crimean-congo-haemorrhagic-fever#tab=tab_1. Accessed 31 Jan 2023"},{"key":"5487_CR6","doi-asserted-by":"publisher","first-page":"223","DOI":"10.1016\/j.meegid.2012.10.005","volume":"14","author":"PD Yadav","year":"2013","unstructured":"Yadav PD, Cherian SS, Zawar D et al (2013) Genetic characterization and molecular clock analyses of the Crimean-Congo hemorrhagic fever virus from human and ticks in India, 2010-2011. Infect Genet Evol 14:223\u2013231. https:\/\/doi.org\/10.1016\/j.meegid.2012.10.005","journal-title":"Infect Genet Evol"},{"key":"5487_CR7","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1186\/s12879-016-1971-7","volume":"16","author":"PD Yadav","year":"2016","unstructured":"Yadav PD, Patil DY, Shete AM et al (2016) Nosocomial infection of CCHF among health care workers in Rajasthan, India. BMC Infect Dis 16:1\u20136. https:\/\/doi.org\/10.1186\/s12879-016-1971-7","journal-title":"BMC Infect Dis"},{"key":"5487_CR8","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1371\/journal.pone.0166744","volume":"11","author":"AN Lukashev","year":"2016","unstructured":"Lukashev AN, Klimentov AS, Smirnova SE et al (2016) Phylogeography of crimean congo hemorrhagic fever virus. PLoS One 11:1\u201314. https:\/\/doi.org\/10.1371\/journal.pone.0166744","journal-title":"PLoS One"},{"key":"5487_CR9","doi-asserted-by":"publisher","first-page":"e0009197","DOI":"10.1371\/journal.pntd.0009197","volume":"15","author":"L Monsalve Arteaga","year":"2021","unstructured":"Monsalve Arteaga L, Mu\u00f1oz Bellido JL, Negredo AI et al (2021) New circulation of genotype V of Crimean-Congo haemorrhagic fever virus in humans from Spain. PLoS Negl Trop Dis 15:e0009197. https:\/\/doi.org\/10.1371\/journal.pntd.0009197","journal-title":"PLoS Negl Trop Dis"},{"key":"5487_CR10","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1371\/journal.pntd.0004210","volume":"10","author":"JR Spengler","year":"2016","unstructured":"Spengler JR, Bergeron \u00c9, Rollin PE (2016) Seroepidemiological studies of Crimean-Congo hemorrhagic fever virus in domestic and wild animals. PLoS Negl Trop Dis 10:1\u201328. https:\/\/doi.org\/10.1371\/journal.pntd.0004210","journal-title":"PLoS Negl Trop Dis"},{"key":"5487_CR11","doi-asserted-by":"publisher","first-page":"1","DOI":"10.3390\/vaccines7030115","volume":"7","author":"TA Farzani","year":"2019","unstructured":"Farzani TA, F\u00f6ldes K, Erg\u00fcnay K et al (2019) Immunological analysis of a CCHFV mRNA vaccine candidate in mouse models. Vaccines 7:1\u201317. https:\/\/doi.org\/10.3390\/vaccines7030115","journal-title":"Vaccines"},{"key":"5487_CR12","doi-asserted-by":"publisher","first-page":"10914","DOI":"10.1128\/jvi.01555-12","volume":"86","author":"SD Carter","year":"2012","unstructured":"Carter SD, Surtees R, Walter CT et al (2012) Structure, function, and evolution of the Crimean-Congo hemorrhagic fever virus nucleocapsid protein. J Virol 86:10914\u201310923. https:\/\/doi.org\/10.1128\/jvi.01555-12","journal-title":"J Virol"},{"key":"5487_CR13","doi-asserted-by":"publisher","first-page":"2228","DOI":"10.1073\/pnas.1015287108","volume":"108","author":"M Akutsu","year":"2011","unstructured":"Akutsu M, Ye Y, Virdee S et al (2011) Molecular basis for ubiquitin and ISG15 cross-reactivity in viral ovarian tumor domains. Proc Natl Acad Sci U S A 108:2228\u20132233. https:\/\/doi.org\/10.1073\/pnas.1015287108","journal-title":"Proc Natl Acad Sci U S A"},{"key":"5487_CR14","unstructured":"Uniprot (2022) Q6TQR6 L_CCHFI. https:\/\/prosite.expasy.org\/rule\/PRU00539. Accessed 13 Sep 2022"},{"key":"5487_CR15","doi-asserted-by":"publisher","first-page":"1","DOI":"10.3389\/fgene.2011.00072","volume":"2","author":"P Srinivasan","year":"2011","unstructured":"Srinivasan P, Kumar SP, Karthikeyan M et al (2011) Epitope-based immunoinformatics and molecular docking studies of nucleocapsid protein and ovarian tumor domain of Crimean-Congo hemorrhagic fever virus. Front Genet 2:1\u20139. https:\/\/doi.org\/10.3389\/fgene.2011.00072","journal-title":"Front Genet"},{"key":"5487_CR16","doi-asserted-by":"publisher","first-page":"1","DOI":"10.7554\/eLife.63906","volume":"10","author":"DW Hawman","year":"2021","unstructured":"Hawman DW, Meade-White K, Leventhal S et al (2021) Immunocompetent mouse model for crimean-congo hemorrhagic fever virus. Elife 10:1\u201322. https:\/\/doi.org\/10.7554\/eLife.63906","journal-title":"Elife"},{"key":"5487_CR17","doi-asserted-by":"publisher","first-page":"205","DOI":"10.1093\/bib\/bbn057","volume":"10","author":"MK Basu","year":"2009","unstructured":"Basu MK, Poliakov E, Rogozin IB (2009) Domain mobility in proteins: functional and evolutionary implications. Brief Bioinform 10:205\u2013216. https:\/\/doi.org\/10.1093\/bib\/bbn057","journal-title":"Brief Bioinform"},{"key":"5487_CR18","doi-asserted-by":"publisher","unstructured":"Zheng LL, Li C, Ping J et al (2014) The domain landscape of virus-host interactomes. Biomed Res Int 2014. https:\/\/doi.org\/10.1155\/2014\/867235","DOI":"10.1155\/2014\/867235"},{"key":"5487_CR19","doi-asserted-by":"publisher","first-page":"2590","DOI":"10.1016\/j.jmb.2018.06.024","volume":"430","author":"MS Maginnis","year":"2018","unstructured":"Maginnis MS (2018) Virus-receptor interactions: the key to cellular invasion. J Mol Biol 430:2590\u20132611","journal-title":"J Mol Biol"},{"key":"5487_CR20","doi-asserted-by":"publisher","first-page":"37","DOI":"10.1016\/j.atg.2012.06.002","volume":"1","author":"CGP Doss","year":"2012","unstructured":"Doss CGP, Rajith B, Garwasis N et al (2012) Screening of mutations affecting protein stability and dynamics of FGFR1-A simulation analysis. Appl Transl Genomics 1:37\u201343. https:\/\/doi.org\/10.1016\/j.atg.2012.06.002","journal-title":"Appl Transl Genomics"},{"key":"5487_CR21","doi-asserted-by":"publisher","unstructured":"Piao L, Chen Z, Li Q et al (2019) Molecular dynamics simulations of wild type and mutants of SAPAP in complexed with shank3. Int J Mol Sci 20. https:\/\/doi.org\/10.3390\/ijms20010224","DOI":"10.3390\/ijms20010224"},{"key":"5487_CR22","doi-asserted-by":"publisher","unstructured":"Ram\u00edrez-Salinas GL, Garc\u00eda-Machorro J, Quiliano M et al (2015) Molecular modeling studies demonstrate key mutations that could affect the ligand recognition by influenza AH1N1 neuraminidase. J Mol Model 21. https:\/\/doi.org\/10.1007\/s00894-015-2835-6","DOI":"10.1007\/s00894-015-2835-6"},{"key":"5487_CR23","doi-asserted-by":"publisher","first-page":"67","DOI":"10.22099\/mbrc.2018.28855.1310","volume":"7","author":"S Saini","year":"2018","unstructured":"Saini S, Jyoti-Thakur C, Kumar V et al (2018) In silico mutational analysis and identification of stability centers in human interleukin-4. Mol Biol Res Commun 7:67\u201376. https:\/\/doi.org\/10.22099\/mbrc.2018.28855.1310","journal-title":"Mol Biol Res Commun"},{"key":"5487_CR24","doi-asserted-by":"publisher","first-page":"552","DOI":"10.1002\/jmv.25728","volume":"92","author":"YC Li","year":"2020","unstructured":"Li YC, Bai WZ, Hashikawa T (2020) The neuroinvasive potential of SARS-CoV2 may play a role in the respiratory failure of COVID-19 patients. J Med Virol 92:552\u2013555. https:\/\/doi.org\/10.1002\/jmv.25728","journal-title":"J Med Virol"},{"key":"5487_CR25","doi-asserted-by":"publisher","first-page":"3309","DOI":"10.1007\/s11030-022-10392-x","volume":"26","author":"I Celik","year":"2022","unstructured":"Celik I, Khan A, Dwivany FM et al (2022) Computational prediction of the effect of mutations in the receptor-binding domain on the interaction between SARS-CoV-2 and human ACE2. Mol Divers. 26:3309. https:\/\/doi.org\/10.1007\/s11030-022-10392-x","journal-title":"Mol Divers."},{"key":"5487_CR26","doi-asserted-by":"publisher","first-page":"4673","DOI":"10.1093\/nar\/22.22.4673","volume":"22","author":"JD Thompson","year":"1994","unstructured":"Thompson JD, Higgins DG, Gibson TJ (1994) CLUSTAL W: improving the sensitivity of progressive multiple sequence alignment through sequence weighting, position-specific gap penalties and weight matrix choice. Nucleic Acids Res 22:4673\u20134680. https:\/\/doi.org\/10.1093\/nar\/22.22.4673","journal-title":"Nucleic Acids Res"},{"key":"5487_CR27","doi-asserted-by":"publisher","first-page":"1547","DOI":"10.1093\/molbev\/msy096","volume":"35","author":"S Kumar","year":"2018","unstructured":"Kumar S, Stecher G, Li M et al (2018) MEGA X: molecular evolutionary genetics analysis across computing platforms. Mol Biol Evol 35:1547\u20131549. https:\/\/doi.org\/10.1093\/molbev\/msy096","journal-title":"Mol Biol Evol"},{"key":"5487_CR28","doi-asserted-by":"publisher","first-page":"101429","DOI":"10.1016\/j.cimid.2020.101429","volume":"69","author":"H Nasirian","year":"2020","unstructured":"Nasirian H (2020) New aspects about Crimean-Congo hemorrhagic fever (CCHF) cases and associated fatality trends: a global systematic review and meta-analysis. Comp Immunol Microbiol Infect Dis 69:101429","journal-title":"Comp Immunol Microbiol Infect Dis"},{"key":"5487_CR29","first-page":"60","volume":"2","author":"T Hall","year":"2011","unstructured":"Hall T, Biosciences I, Carlsbad C (2011) BioEdit: an important software for molecular biology. GERF Bull Biosci 2:60\u201361","journal-title":"GERF Bull Biosci"},{"key":"5487_CR30","doi-asserted-by":"publisher","DOI":"10.1016\/B978-0-12-819132-3.00004-X","volume-title":"Proteome-scale studies of protein stability","author":"G Calloni","year":"2020","unstructured":"Calloni G, Vabulas RM (2020) Proteome-scale studies of protein stability. Elsevier Inc."},{"key":"5487_CR31","doi-asserted-by":"publisher","first-page":"W236","DOI":"10.1093\/nar\/gkx412","volume":"45","author":"L Paladin","year":"2017","unstructured":"Paladin L, Piovesan D, Tosatto SCE (2017) SODA: prediction of protein solubility from disorder and aggregation propensity. Nucleic Acids Res 45:W236\u2013W240. https:\/\/doi.org\/10.1093\/nar\/gkx412","journal-title":"Nucleic Acids Res"},{"key":"5487_CR32","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1186\/1471-2105-11-548","volume":"11","author":"H Venselaar","year":"2010","unstructured":"Venselaar H, te Beek TAH, Kuipers RKP et al (2010) Protein structure analysis of mutations causing inheritable diseases. An e-Science approach with life scientist friendly interfaces. BMC Bioinformatics 11:1\u201310. https:\/\/doi.org\/10.1186\/1471-2105-11-548","journal-title":"BMC Bioinformatics"},{"key":"5487_CR33","doi-asserted-by":"publisher","first-page":"5.6.1","DOI":"10.1002\/0471250953.BI0506S15","volume":"15","author":"N Eswar","year":"2006","unstructured":"Eswar N, Webb B, Marti-Renom MA et al (2006) Comparative protein structure modeling using modeller. Curr Protoc Bioinforma 15:5.6.1\u20135.6.30. https:\/\/doi.org\/10.1002\/0471250953.BI0506S15","journal-title":"Curr Protoc Bioinforma"},{"key":"5487_CR34","doi-asserted-by":"publisher","first-page":"1605","DOI":"10.1002\/jcc.20084","volume":"25","author":"EF Pettersen","year":"2004","unstructured":"Pettersen EF, Goddard TD, Huang CC et al (2004) UCSF Chimera - a visualization system for exploratory research and analysis. J Comput Chem 25:1605\u20131612. https:\/\/doi.org\/10.1002\/jcc.20084","journal-title":"J Comput Chem"},{"key":"5487_CR35","doi-asserted-by":"publisher","first-page":"1","DOI":"10.3390\/microorganisms9020438","volume":"9","author":"EM Wampande","year":"2021","unstructured":"Wampande EM, Waiswa P, Allen DJ et al (2021) Phylogenetic characterization of crimean-congo hemorrhagic fever virus detected in african blue ticks feeding on cattle in a ugandan abattoir. Microorganisms 9:1\u201312. https:\/\/doi.org\/10.3390\/microorganisms9020438","journal-title":"Microorganisms"},{"key":"5487_CR36","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1038\/s41598-020-74843-x","volume":"10","author":"M Kosuge","year":"2020","unstructured":"Kosuge M, Furusawa-Nishii E, Ito K et al (2020) Point mutation bias in SARS-CoV-2 variants results in increased ability to stimulate inflammatory responses. Sci Rep 10:1\u20139. https:\/\/doi.org\/10.1038\/s41598-020-74843-x","journal-title":"Sci Rep"},{"key":"5487_CR37","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1371\/journal.pone.0266844","volume":"17","author":"TA Shishir","year":"2022","unstructured":"Shishir TA, Jannat T, Bin NI (2022) An in-silico study of the mutation-associated effects on the spike protein of SARS-CoV-2, Omicron variant. PLoS One 17:1\u201321. https:\/\/doi.org\/10.1371\/journal.pone.0266844","journal-title":"PLoS One"},{"key":"5487_CR38","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1007\/s00894-016-3137-3","volume":"22","author":"R Concei\u00e7\u00e3o de Souza","year":"2016","unstructured":"Concei\u00e7\u00e3o de Souza R, de Medeiros MG, Siqueira AS et al (2016) Investigating the effects of point mutations on the affinity between the cyanobacterial lectin microvirin and high mannose-type glycans present on the HIV envelope glycoprotein. J Mol Model 22:1\u20139. https:\/\/doi.org\/10.1007\/s00894-016-3137-3","journal-title":"J Mol Model"},{"key":"5487_CR39","doi-asserted-by":"publisher","first-page":"1","DOI":"10.3390\/v12111295","volume":"12","author":"NM Collette","year":"2020","unstructured":"Collette NM, Lao VHI, Weilhammer DR et al (2020) Single amino acid mutations affect zika virus replication in vitro and virulence in vivo. Viruses 12:1\u201320. https:\/\/doi.org\/10.3390\/v12111295","journal-title":"Viruses"},{"key":"5487_CR40","doi-asserted-by":"publisher","first-page":"S121","DOI":"10.1016\/j.ijid.2021.12.286","volume":"116","author":"G Abuova","year":"2022","unstructured":"Abuova G, Karan L, Pshenichnaya N et al (2022) Results of genotyping of the Congo-Crimean hemorrhagic fever virus circulating in Southern Kazakhstan. Int J Infect Dis 116:S121. https:\/\/doi.org\/10.1016\/j.ijid.2021.12.286","journal-title":"Int J Infect Dis"},{"key":"5487_CR41","doi-asserted-by":"publisher","first-page":"276","DOI":"10.4103\/0972-9062.289389","volume":"56","author":"M Fazlalipour","year":"2019","unstructured":"Fazlalipour M, Baniasadi V, Pouriayevali M et al (2019) Crimean-Congo hemorrhagic fever virus Asia 2 genotype in Qeshm Island, southern Iran: a case report. J Vector Borne Dis 56:276\u2013279. https:\/\/doi.org\/10.4103\/0972-9062.289389","journal-title":"J Vector Borne Dis"},{"key":"5487_CR42","doi-asserted-by":"publisher","first-page":"303","DOI":"10.1007\/82_2015_483","volume":"392","author":"AV Border\u00eda","year":"2016","unstructured":"Border\u00eda AV, Rozen-Gagnon K, Vignuzzi M (2016) Fidelity variants and RNA quasispecies. Exp Syst 392:303. https:\/\/doi.org\/10.1007\/82_2015_483","journal-title":"Exp Syst"},{"key":"5487_CR43","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1371\/journal.ppat.1001163","volume":"6","author":"LI Levi","year":"2010","unstructured":"Levi LI, Gn\u00e4dig NF, Beaucourt S et al (2010) Fidelity Variants of RNA Dependent RNA polymerases uncover an indirect, mutagenic activity of amiloride compounds. PLoS Pathog 6:1\u201314. https:\/\/doi.org\/10.1371\/journal.ppat.1001163","journal-title":"PLoS Pathog"},{"key":"5487_CR44","doi-asserted-by":"publisher","first-page":"5803","DOI":"10.1128\/jvi.00289-14","volume":"88","author":"T Meng","year":"2014","unstructured":"Meng T, Kwang J (2014) Attenuation of human enterovirus 71 high-replication-fidelity variants in AG129 mice. J Virol 88:5803\u20135815. https:\/\/doi.org\/10.1128\/jvi.00289-14","journal-title":"J Virol"},{"key":"5487_CR45","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1016\/j.antiviral.2013.07.008","volume":"100","author":"J Zeng","year":"2013","unstructured":"Zeng J, Wang H, Xie X et al (2013) An increased replication fidelity mutant of foot-and-mouth disease virus retains fitness in vitro and virulence in vivo. Antiviral Res 100:1\u20137. https:\/\/doi.org\/10.1016\/j.antiviral.2013.07.008","journal-title":"Antiviral Res"},{"issue":"5","key":"5487_CR46","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1038\/ncomms5794","volume":"51","author":"PPH Cheung","year":"2014","unstructured":"Cheung PPH, Watson SJ, Choy KT et al (2014) (2014) Generation and characterization of influenza A viruses with altered polymerase fidelity. Nat Commun 51(5):1\u201313. https:\/\/doi.org\/10.1038\/ncomms5794","journal-title":"Nat Commun"},{"key":"5487_CR47","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1371\/journal.ppat.1005009","volume":"11","author":"GA Van Slyke","year":"2015","unstructured":"Van Slyke GA, Arnold JJ, Lugo AJ et al (2015) Sequence-specific fidelity alterations associated with West Nile virus attenuation in mosquitoes. PLoS Pathog 11:1\u201321. https:\/\/doi.org\/10.1371\/journal.ppat.1005009","journal-title":"PLoS Pathog"},{"key":"5487_CR48","doi-asserted-by":"publisher","first-page":"1284","DOI":"10.1016\/j.cell.2020.07.012","volume":"182","author":"Q Li","year":"2020","unstructured":"Li Q, Wu J, Nie J et al (2020) The impact of mutations in SARS-CoV-2 spike on viral infectivity and antigenicity. Cell 182:1284\u20131294.e9. https:\/\/doi.org\/10.1016\/j.cell.2020.07.012","journal-title":"Cell"},{"key":"5487_CR49","unstructured":"NCBI (2022) Catalytic domain. In: NIH. The region of an enzyme, to cause the enzymatic reaction. https:\/\/www.ncbi.nlm.nih.gov\/mesh?Db=mesh&Cmd=DetailsSearch&Term=%22Catalytic+Domain%22%5BMeSH+Terms%5D#:~:text. Accessed 14 Sep 2022"},{"key":"5487_CR50","doi-asserted-by":"publisher","first-page":"581","DOI":"10.1042\/BJ20121221","volume":"449","author":"RA Studer","year":"2013","unstructured":"Studer RA, Dessailly BH, Orengo CA (2013) Residue mutations and their impact on protein structure and function: detecting beneficial and pathogenic changes. Biochem J 449:581\u2013594. https:\/\/doi.org\/10.1042\/BJ20121221","journal-title":"Biochem J"},{"key":"5487_CR51","doi-asserted-by":"publisher","unstructured":"Pirolli D, Sciandra F, Bozzi M et al (2014) Insights from molecular dynamics simulations: structural basis for the V567D mutation-induced instability of zebrafish alpha-dystroglycan and comparison with the murine model. PLoS One 9. https:\/\/doi.org\/10.1371\/journal.pone.0103866","DOI":"10.1371\/journal.pone.0103866"},{"key":"5487_CR52","doi-asserted-by":"publisher","first-page":"1","DOI":"10.3389\/fmolb.2021.780284","volume":"8","author":"MF AlAjmi","year":"2021","unstructured":"AlAjmi MF, Khan S, Choudhury A et al (2021) Impact of deleterious mutations on structure, function and stability of serum\/glucocorticoid regulated kinase 1: a gene to diseases correlation. Front Mol Biosci 8:1\u201314. https:\/\/doi.org\/10.3389\/fmolb.2021.780284","journal-title":"Front Mol Biosci"},{"key":"5487_CR53","doi-asserted-by":"publisher","first-page":"1336","DOI":"10.1021\/ci200112b","volume":"51","author":"T Zhang","year":"2011","unstructured":"Zhang T, Liu LA, Lewis DFV, Wei DQ (2011) Long-range effects of a peripheral mutation on the enzymatic activity of cytochrome P450 1A2. J Chem Inf Model 51:1336\u20131346. https:\/\/doi.org\/10.1021\/ci200112b","journal-title":"J Chem Inf Model"},{"key":"5487_CR54","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1038\/s41598-019-44013-9","volume":"9","author":"MT Khan","year":"2019","unstructured":"Khan MT, Khan A, Rehman AU et al (2019) Structural and free energy landscape of novel mutations in ribosomal protein S1 (rpsA) associated with pyrazinamide resistance. Sci Rep 9:1\u201312. https:\/\/doi.org\/10.1038\/s41598-019-44013-9","journal-title":"Sci Rep"},{"key":"5487_CR55","doi-asserted-by":"publisher","first-page":"105","DOI":"10.1080\/07391102.2015.1134346","volume":"35","author":"FI Khan","year":"2017","unstructured":"Khan FI, Aamir M, Wei DQ et al (2017) Molecular mechanism of Ras-related protein Rab-5A and effect of mutations in the catalytically active phosphate-binding loop. J Biomol Struct Dyn 35:105\u2013118. https:\/\/doi.org\/10.1080\/07391102.2015.1134346","journal-title":"J Biomol Struct Dyn"}],"container-title":["Journal of Molecular Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1007\/s00894-023-05487-7.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/article\/10.1007\/s00894-023-05487-7\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1007\/s00894-023-05487-7.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,4,9]],"date-time":"2025-04-09T14:55:13Z","timestamp":1744210513000},"score":1,"resource":{"primary":{"URL":"https:\/\/link.springer.com\/10.1007\/s00894-023-05487-7"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023,3,6]]},"references-count":55,"journal-issue":{"issue":"4","published-print":{"date-parts":[[2023,4]]}},"alternative-id":["5487"],"URL":"https:\/\/doi.org\/10.1007\/s00894-023-05487-7","relation":{},"ISSN":["1610-2940","0948-5023"],"issn-type":[{"value":"1610-2940","type":"print"},{"value":"0948-5023","type":"electronic"}],"subject":[],"published":{"date-parts":[[2023,3,6]]},"assertion":[{"value":"23 October 2022","order":1,"name":"received","label":"Received","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"24 February 2023","order":2,"name":"accepted","label":"Accepted","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"6 March 2023","order":3,"name":"first_online","label":"First Online","group":{"name":"ArticleHistory","label":"Article History"}},{"order":1,"name":"Ethics","group":{"name":"EthicsHeading","label":"Declarations"}},{"value":"Not required","order":2,"name":"Ethics","group":{"name":"EthicsHeading","label":"Ethical approval"}},{"value":"Not applicable","order":3,"name":"Ethics","group":{"name":"EthicsHeading","label":"Consent to participate"}},{"value":"The authors declare no competing interests.","order":4,"name":"Ethics","group":{"name":"EthicsHeading","label":"Conflict of interest"}}],"article-number":"88"}}