{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,8]],"date-time":"2026-01-08T05:47:12Z","timestamp":1767851232052,"version":"3.49.0"},"reference-count":54,"publisher":"Springer Science and Business Media LLC","issue":"S19","content-domain":{"domain":["link.springer.com"],"crossmark-restriction":false},"short-container-title":["BMC Bioinformatics"],"published-print":{"date-parts":[[2016,12]]},"DOI":"10.1186\/s12859-016-1379-9","type":"journal-article","created":{"date-parts":[[2016,12,22]],"date-time":"2016-12-22T12:44:50Z","timestamp":1482410690000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":11,"title":["Novel group-based QSAR and combinatorial design of CK-1\u03b4 inhibitors as neuroprotective agents"],"prefix":"10.1186","volume":"17","author":[{"given":"Kopal","family":"Joshi","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Sukriti","family":"Goyal","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Sonam","family":"Grover","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Salma","family":"Jamal","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Aditi","family":"Singh","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Pawan","family":"Dhar","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Abhinav","family":"Grover","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"297","published-online":{"date-parts":[[2016,12,22]]},"reference":[{"issue":"6","key":"1379_CR1","doi-asserted-by":"publisher","first-page":"2755","DOI":"10.1021\/jm500065f","volume":"57","author":"IG Salado","year":"2014","unstructured":"Salado IG, Redondo M, Bello ML, Perez C, Liachko NF, Kraemer BC, Miguel L, Lecourtois M, Gil C, Martinez A, Perez DI. Protein kinase CK-1 inhibitors as new potential drugs for amyotrophic lateral sclerosis. J Med Chem. 2014;57(6):2755\u201372. doi: 10.1021\/jm500065f .","journal-title":"J Med Chem"},{"issue":"22","key":"1379_CR2","doi-asserted-by":"publisher","first-page":"1688","DOI":"10.1056\/NEJM200105313442207","volume":"344","author":"LP Rowland","year":"2001","unstructured":"Rowland LP, Shneider NA. Amyotrophic lateral sclerosis. N Engl J Med. 2001;344(22):1688\u2013700. doi: 10.1056\/NEJM200105313442207 .","journal-title":"N Engl J Med"},{"issue":"5","key":"1379_CR3","doi-asserted-by":"crossref","first-page":"1218","DOI":"10.1021\/ci010291a","volume":"41","author":"A Yasri","year":"2001","unstructured":"Yasri A, Hartsough D. Toward an optimal procedure for variable selection and QSAR model building. J Chem Inf Comput Sci. 2001;41(5):1218\u201327.","journal-title":"J Chem Inf Comput Sci"},{"issue":"11","key":"1379_CR4","doi-asserted-by":"publisher","first-page":"603","DOI":"10.1038\/nrneurol.2011.150","volume":"7","author":"PM Andersen","year":"2011","unstructured":"Andersen PM, Al-Chalabi A. Clinical genetics of amyotrophic lateral sclerosis: what do we really know? Nat Rev Neurol. 2011;7(11):603\u201315. doi: 10.1038\/nrneurol.2011.150 .","journal-title":"Nat Rev Neurol"},{"issue":"3","key":"1379_CR5","doi-asserted-by":"publisher","first-page":"663","DOI":"10.1007\/s12031-011-9637-9","volume":"45","author":"F Fecto","year":"2011","unstructured":"Fecto F, Siddique T. Making connections: pathology and genetics link amyotrophic lateral sclerosis with frontotemporal lobe dementia. J Mol Neurosci. 2011;45(3):663\u201375. doi: 10.1007\/s12031-011-9637-9 .","journal-title":"J Mol Neurosci"},{"issue":"9769","key":"1379_CR6","doi-asserted-by":"publisher","first-page":"942","DOI":"10.1016\/S0140-6736(10)61156-7","volume":"377","author":"MC Kiernan","year":"2011","unstructured":"Kiernan MC, Vucic S, Cheah BC, Turner MR, Eisen A, Hardiman O, Burrell JR, Zoing MC. Amyotrophic lateral sclerosis. Lancet. 2011;377(9769):942\u201355. doi: 10.1016\/S0140-6736(10)61156-7 .","journal-title":"Lancet"},{"key":"1379_CR7","first-page":"305","volume":"19","author":"B Cohen","year":"1983","unstructured":"Cohen B, Caroscio J. Eye movements in amyotrophic lateral sclerosis. J Neural Transm Suppl. 1983;19:305\u201315.","journal-title":"J Neural Transm Suppl"},{"issue":"11\u201312","key":"1379_CR8","doi-asserted-by":"publisher","first-page":"973","DOI":"10.1016\/j.bbadis.2006.08.001","volume":"1762","author":"CL Simpson","year":"2006","unstructured":"Simpson CL, Al-Chalabi A. Amyotrophic lateral sclerosis as a complex genetic disease. Biochim Biophys Acta. 2006;1762(11\u201312):973\u201385. doi: 10.1016\/j.bbadis.2006.08.001 .","journal-title":"Biochim Biophys Acta"},{"issue":"8","key":"1379_CR9","doi-asserted-by":"crossref","first-page":"649","DOI":"10.1097\/01.jnen.0000173889.71434.ea","volume":"64","author":"MJ Strong","year":"2005","unstructured":"Strong MJ, Kesavapany S, Pant HC. The pathobiology of amyotrophic lateral sclerosis: a proteinopathy? J Neuropathol Exp Neurol. 2005;64(8):649\u201364.","journal-title":"J Neuropathol Exp Neurol"},{"issue":"5918","key":"1379_CR10","doi-asserted-by":"publisher","first-page":"1208","DOI":"10.1126\/science.1165942","volume":"323","author":"C Vance","year":"2009","unstructured":"Vance C, Rogelj B, Hortobagyi T, De Vos KJ, Nishimura AL, Sreedharan J, Hu X, Smith B, Ruddy D, Wright P, Ganesalingam J, Williams KL, Tripathi V, Al-Saraj S, Al-Chalabi A, Leigh PN, Blair IP, Nicholson G, de Belleroche J, Gallo JM, Miller CC, Shaw CE. Mutations in FUS, an RNA processing protein, cause familial amyotrophic lateral sclerosis type 6. Science. 2009;323(5918):1208\u201311. doi: 10.1126\/science.1165942 .","journal-title":"Science"},{"issue":"9","key":"1379_CR11","doi-asserted-by":"publisher","first-page":"710","DOI":"10.1038\/nrn1971","volume":"7","author":"P Pasinelli","year":"2006","unstructured":"Pasinelli P, Brown RH. Molecular biology of amyotrophic lateral sclerosis: insights from genetics. Nat Rev Neurosci. 2006;7(9):710\u201323. doi: 10.1038\/nrn1971 .","journal-title":"Nat Rev Neurosci"},{"issue":"6","key":"1379_CR12","doi-asserted-by":"crossref","first-page":"924","DOI":"10.1002\/med.20207","volume":"31","author":"DI Perez","year":"2011","unstructured":"Perez DI, Gil C, Martinez A. Protein kinases CK1 and CK2 as new targets for neurodegenerative diseases. Med Res Rev. 2011;31(6):924\u201354.","journal-title":"Med Res Rev"},{"issue":"10","key":"1379_CR13","doi-asserted-by":"crossref","first-page":"508","DOI":"10.1159\/000087137","volume":"28","author":"U Knippschild","year":"2005","unstructured":"Knippschild U, Wolff S, Giamas G, Brockschmidt C, Wittau M, W\u00fcRL PU, Eismann T, St\u00f6ter M. The role of the casein kinase 1 (CK1) family in different signaling pathways linked to cancer development. Oncol Res Treat. 2005;28(10):508\u201314.","journal-title":"Oncol Res Treat"},{"issue":"4","key":"1379_CR14","doi-asserted-by":"crossref","first-page":"465","DOI":"10.1016\/j.biocel.2010.12.004","volume":"43","author":"JK Cheong","year":"2011","unstructured":"Cheong JK, Virshup DM. Casein kinase 1: complexity in the family. Int J Biochem Cell Biol. 2011;43(4):465\u20139.","journal-title":"Int J Biochem Cell Biol"},{"issue":"4","key":"1379_CR15","doi-asserted-by":"crossref","first-page":"399","DOI":"10.1101\/gad.1394306","volume":"20","author":"MA Price","year":"2006","unstructured":"Price MA. CKI, there\u2019s more than one: casein kinase I family members in Wnt and Hedgehog signaling. Genes Dev. 2006;20(4):399\u2013410.","journal-title":"Genes Dev"},{"issue":"3","key":"1379_CR16","doi-asserted-by":"crossref","first-page":"389","DOI":"10.1081\/CBI-100103963","volume":"18","author":"EJ Eide","year":"2001","unstructured":"Eide EJ, Virshup DM. Casein kinase I: another cog in the circadian clockworks. Chronobiol Int. 2001;18(3):389\u201398.","journal-title":"Chronobiol Int"},{"issue":"14","key":"1379_CR17","doi-asserted-by":"crossref","first-page":"3853","DOI":"10.1128\/MCB.00338-09","volume":"29","author":"J-P Etchegaray","year":"2009","unstructured":"Etchegaray J-P, Machida KK, Noton E, Constance CM, Dallmann R, Di Napoli MN, DeBruyne JP, Lambert CM, Elizabeth AY, Reppert SM. Casein kinase 1 delta regulates the pace of the mammalian circadian clock. Mol Cell Biol. 2009;29(14):3853\u201366.","journal-title":"Mol Cell Biol"},{"issue":"1","key":"1379_CR18","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1186\/1476-4598-13-231","volume":"13","author":"B Schittek","year":"2014","unstructured":"Schittek B, Sinnberg T. Biological functions of casein kinase 1 isoforms and putative roles in tumorigenesis. Mol Cancer. 2014;13(1):1.","journal-title":"Mol Cancer"},{"issue":"2","key":"1379_CR19","doi-asserted-by":"crossref","first-page":"405","DOI":"10.1016\/j.bbrc.2009.03.038","volume":"382","author":"F Kametani","year":"2009","unstructured":"Kametani F, Nonaka T, Suzuki T, Arai T, Dohmae N, Akiyama H, Hasegawa M. Identification of casein kinase-1 phosphorylation sites on TDP-43. Biochem Biophys Res Commun. 2009;382(2):405\u20139.","journal-title":"Biochem Biophys Res Commun"},{"issue":"4","key":"1379_CR20","doi-asserted-by":"crossref","first-page":"P790","DOI":"10.1016\/j.jalz.2014.05.1533","volume":"10","author":"T Nonaka","year":"2014","unstructured":"Nonaka T, Masai H, Hasegawa M. Phosphorylation of TDP-43 by casein kinase 1 delta facilitates mislocalization and intracellular aggregate formation of TDP-43. Alzheimers Dement. 2014;10(4):P790.","journal-title":"Alzheimers Dement"},{"issue":"19 Supplement","key":"1379_CR21","doi-asserted-by":"crossref","first-page":"1335","DOI":"10.1158\/1538-7445.AM2014-1335","volume":"74","author":"YE Greer","year":"2014","unstructured":"Greer YE, Gao B, Yang Y, Rubin JS. Lack of casein kinase 1 delta induces DNA damage, inhibition of mTORC1 signaling and nucleophagy. Cancer Res. 2014;74(19 Supplement):1335.","journal-title":"Cancer Res"},{"issue":"4","key":"1379_CR22","doi-asserted-by":"publisher","first-page":"687","DOI":"10.1007\/s11030-009-9212-2","volume":"14","author":"J Li","year":"2010","unstructured":"Li J, Gramatica P. The importance of molecular structures, endpoints\u2019 values, and predictivity parameters in QSAR research: QSAR analysis of a series of estrogen receptor binders. Mol Divers. 2010;14(4):687\u201396. doi: 10.1007\/s11030-009-9212-2 .","journal-title":"Mol Divers"},{"issue":"6\u20137","key":"1379_CR23","doi-asserted-by":"publisher","first-page":"476","DOI":"10.1002\/minf.201000061","volume":"29","author":"A Tropsha","year":"2010","unstructured":"Tropsha A. Best practices for QSAR model development, validation, and exploitation. Mol Inf. 2010;29(6\u20137):476\u201388. doi: 10.1002\/minf.201000061 .","journal-title":"Mol Inf"},{"issue":"11","key":"1379_CR24","doi-asserted-by":"publisher","first-page":"1924","DOI":"10.1002\/jcc.20664","volume":"28","author":"S Damme Van","year":"2007","unstructured":"Van Damme S, Bultinck P. A new computer program for QSAR-analysis: ARTE-QSAR. J Comput Chem. 2007;28(11):1924\u20138. doi: 10.1002\/jcc.20664 .","journal-title":"J Comput Chem"},{"key":"1379_CR25","doi-asserted-by":"crossref","first-page":"64","DOI":"10.1016\/j.jmgm.2014.04.015","volume":"51","author":"S Goyal","year":"2014","unstructured":"Goyal S, Grover S, Dhanjal JK, Tyagi C, Goyal M, Grover A. Group-based QSAR and molecular dynamics mechanistic analysis revealing the mode of action of novel piperidinone derived protein\u2013protein inhibitors of p 53\u2013MDM2. J Mol Graph Model. 2014;51:64\u201372.","journal-title":"J Mol Graph Model"},{"key":"1379_CR26","doi-asserted-by":"publisher","first-page":"979606","DOI":"10.1155\/2014\/979606","volume":"2014","author":"M Goyal","year":"2014","unstructured":"Goyal M, Dhanjal JK, Goyal S, Tyagi C, Hamid R, Grover A. Development of dual inhibitors against Alzheimer\u2019s disease using fragment-based QSAR and molecular docking. Biomed Res Int. 2014;2014:979606. doi: 10.1155\/2014\/979606 .","journal-title":"Biomed Res Int"},{"key":"1379_CR27","doi-asserted-by":"crossref","unstructured":"Gupta A, Jain R, Wahi D, Goyal S, Jamal S, Grover A. Abrogation of AuroraA-TPX2 by novel natural inhibitors: molecular dynamics-based mechanistic analysis. J Recept Signal Transduction. 2015:1\u20138.","DOI":"10.3109\/10799893.2015.1041645"},{"key":"1379_CR28","doi-asserted-by":"crossref","first-page":"37","DOI":"10.1016\/j.compbiolchem.2015.09.006","volume":"59","author":"K Patel","year":"2015","unstructured":"Patel K, Tyagi C, Goyal S, Jamal S, Wahi D, Jain R, Bharadvaja N, Grover A. Identification of chebulinic acid as potent natural inhibitor of M. tuberculosis DNA gyrase and molecular insights into its binding mode of action. Comput Biol Chem. 2015;59:37\u201347.","journal-title":"Comput Biol Chem"},{"issue":"Suppl 2","key":"1379_CR29","doi-asserted-by":"crossref","first-page":"S14","DOI":"10.1186\/1471-2164-16-S2-S14","volume":"16","author":"C Vats","year":"2015","unstructured":"Vats C, Dhanjal JK, Goyal S, Gupta A, Bharadvaja N, Grover A. Mechanistic analysis elucidating the relationship between Lys96 mutation in Mycobacterium tuberculosis pyrazinamidase enzyme and pyrazinamide susceptibility. BMC Genomics. 2015;16 Suppl 2:S14.","journal-title":"BMC Genomics"},{"issue":"1","key":"1379_CR30","doi-asserted-by":"crossref","first-page":"115","DOI":"10.1016\/j.gene.2015.06.008","volume":"570","author":"N Nagpal","year":"2015","unstructured":"Nagpal N, Goyal S, Wahi D, Jain R, Jamal S, Singh A, Rana P, Grover A. Molecular principles behind Boceprevir resistance due to mutations in hepatitis C NS3\/4A protease. Gene. 2015;570(1):115\u201321.","journal-title":"Gene"},{"issue":"Suppl 5","key":"1379_CR31","doi-asserted-by":"crossref","first-page":"S8","DOI":"10.1186\/1471-2164-16-S5-S8","volume":"16","author":"S Goyal","year":"2015","unstructured":"Goyal S, Jamal S, Shanker A, Grover A. Structural investigations of T854A mutation in EGFR and identification of novel inhibitors using structure activity relationships. BMC Genomics. 2015;16 Suppl 5:S8.","journal-title":"BMC Genomics"},{"key":"1379_CR32","doi-asserted-by":"crossref","first-page":"72","DOI":"10.1016\/j.biocel.2015.01.014","volume":"61","author":"C Tyagi","year":"2015","unstructured":"Tyagi C, Bathke J, Goyal S, Fischer M, Dahse H-M, Chacko S, Becker K, Grover A. Targeting the intersubunit cavity of plasmodium falciparum glutathione reductase by a novel natural inhibitor: computational and experimental evidence. Int J Biochem Cell Biol. 2015;61:72\u201380.","journal-title":"Int J Biochem Cell Biol"},{"issue":"S-1","key":"1379_CR33","doi-asserted-by":"crossref","first-page":"22","DOI":"10.1186\/1758-2946-5-S1-P22","volume":"5","author":"B Virupaksha","year":"2013","unstructured":"Virupaksha B, Alpana G, Prashant K, Deshpande U, Desideri A. Analysis of naphthoquinone derivatives as topoisomerase I inhibitors using fragment based QSAR. J Cheminformatics. 2013;5(S-1):22.","journal-title":"J Cheminformatics"},{"issue":"4","key":"1379_CR34","doi-asserted-by":"crossref","first-page":"2122","DOI":"10.1007\/s00044-013-0810-2","volume":"23","author":"M Goyal","year":"2014","unstructured":"Goyal M, Grover S, Dhanjal JK, Goyal S, Tyagi C, Grover A. Molecular modelling studies on flavonoid derivatives as dual site inhibitors of human acetyl cholinesterase using 3D-QSAR, pharmacophore and high throughput screening approaches. Med Chem Res. 2014;23(4):2122\u201332.","journal-title":"Med Chem Res"},{"issue":"3","key":"1379_CR35","doi-asserted-by":"crossref","first-page":"993","DOI":"10.1007\/s11224-015-0697-2","volume":"27","author":"A Singh","year":"2016","unstructured":"Singh A, Goyal S, Jamal S, Subramani B, Das M, Admane N, Grover A. Computational identification of novel piperidine derivatives as potential HDM2 inhibitors designed by fragment-based QSAR, molecular docking and molecular dynamics simulations. Struct Chem. 2016;27(3):993\u20131003.","journal-title":"Struct Chem"},{"issue":"7","key":"1379_CR36","doi-asserted-by":"publisher","first-page":"683","DOI":"10.1016\/j.jmgm.2010.01.007","volume":"28","author":"S Ajmani","year":"2010","unstructured":"Ajmani S, Agrawal A, Kulkarni SA. A comprehensive structure-activity analysis of protein kinase B-alpha (Akt1) inhibitors. J Mol Graph Model. 2010;28(7):683\u201394. doi: 10.1016\/j.jmgm.2010.01.007 .","journal-title":"J Mol Graph Model"},{"issue":"Suppl 8","key":"1379_CR37","doi-asserted-by":"publisher","first-page":"S10","DOI":"10.1186\/1471-2164-14-S8-S10","volume":"14","author":"C Tyagi","year":"2013","unstructured":"Tyagi C, Grover S, Dhanjal J, Goyal S, Goyal M, Grover A. Mechanistic insights into mode of action of novel natural cathepsin L inhibitors. BMC Genomics. 2013;14 Suppl 8:S10. doi: 10.1186\/1471-2164-14-S8-S10 .","journal-title":"BMC Genomics"},{"key":"1379_CR38","doi-asserted-by":"crossref","unstructured":"Goyal M, Grover S, Dhanjal JK, Goyal S, Tyagi C, Grover A. Molecular modelling studies on flavonoid derivatives as dual site inhibitors of human acetyl cholinesterase using 3D-QSAR, pharmacophore and high throughput screening approaches. Med Chem Res. 2013:1\u201311.","DOI":"10.1007\/s00044-013-0810-2"},{"key":"1379_CR39","unstructured":"MarwinSketch. 5.12.1 edn. 2013."},{"key":"1379_CR40","volume-title":"Molecular design suite","author":"VLifeMDS","year":"2010","unstructured":"VLifeMDS. Molecular design suite. 43rd ed. Pune: VLife Sciences Technologies Pvt. Ltd; 2010.","edition":"43"},{"issue":"1","key":"1379_CR41","doi-asserted-by":"crossref","first-page":"36","DOI":"10.1002\/qsar.200810063","volume":"28","author":"S Ajmani","year":"2009","unstructured":"Ajmani S, Jadhav K, Kulkarni SA. Group\u2010based QSAR (G\u2010QSAR): mitigating interpretation challenges in QSAR. QSAR Comb Sci. 2009;28(1):36\u201351.","journal-title":"QSAR Comb Sci"},{"key":"1379_CR42","doi-asserted-by":"crossref","unstructured":"Goyal M, Dhanjal JK, Goyal S, Tyagi C, Hamid R, Grover A. Development of dual inhibitors against Alzheimer\u2019s disease using fragment-based QSAR and molecular docking. BioMed Res Int. 2014.","DOI":"10.1155\/2014\/979606"},{"issue":"1\u20132","key":"1379_CR43","doi-asserted-by":"crossref","first-page":"475","DOI":"10.1016\/S0003-2670(01)01271-5","volume":"446","author":"L Xu","year":"2001","unstructured":"Xu L, Zhang W-J. Comparison of different methods for variable selection. Anal Chim Acta. 2001;446(1\u20132):475\u201381. http:\/\/dx.doi.org\/10.1016\/S0003-2670(01)01271-5 .","journal-title":"Anal Chim Acta"},{"issue":"6\u20137","key":"1379_CR44","doi-asserted-by":"publisher","first-page":"473","DOI":"10.1002\/minf.201100160","volume":"31","author":"S Ajmani","year":"2012","unstructured":"Ajmani S, Kulkarni SA. Application of GQSAR for scaffold hopping and lead optimization in multitarget inhibitors. Mol Inf. 2012;31(6\u20137):473\u201390. doi: 10.1002\/minf.201100160 .","journal-title":"Mol Inf"},{"issue":"4","key":"1379_CR45","doi-asserted-by":"crossref","first-page":"231","DOI":"10.1023\/A:1021372108686","volume":"5","author":"A Golbraikh","year":"2002","unstructured":"Golbraikh A, Tropsha A. Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selection. Mol Divers. 2002;5(4):231\u201343.","journal-title":"Mol Divers"},{"issue":"2","key":"1379_CR46","doi-asserted-by":"publisher","first-page":"877","DOI":"10.1016\/j.ejmech.2008.05.028","volume":"44","author":"A Afantitis","year":"2009","unstructured":"Afantitis A, Melagraki G, Sarimveis H, Igglessi-Markopoulou O, Kollias G. A novel QSAR model for predicting the inhibition of CXCR3 receptor by 4-N-aryl-[1,4] diazepane ureas. Eur J Med Chem. 2009;44(2):877\u201384. doi: 10.1016\/j.ejmech.2008.05.028 .","journal-title":"Eur J Med Chem"},{"issue":"4","key":"1379_CR47","doi-asserted-by":"crossref","first-page":"269","DOI":"10.1016\/S1093-3263(01)00123-1","volume":"20","author":"A Golbraikh","year":"2002","unstructured":"Golbraikh A, Tropsha A. Beware of q2! J Mol Graph Model. 2002;20(4):269\u201376.","journal-title":"J Mol Graph Model"},{"key":"1379_CR48","volume-title":"Maestro, version 8.5","author":"L Schr\u00f6dinger","year":"2008","unstructured":"Schr\u00f6dinger L. Maestro, version 8.5. New York: Schr\u00f6dinger; 2008."},{"key":"1379_CR49","unstructured":"Schr\u00f6dinger L. SCHRODINGER SUITE 2008. Maestro Version 8. 2008."},{"issue":"3","key":"1379_CR50","doi-asserted-by":"crossref","first-page":"221","DOI":"10.1007\/s10822-013-9644-8","volume":"27","author":"GM Sastry","year":"2013","unstructured":"Sastry GM, Adzhigirey M, Day T, Annabhimoju R, Sherman W. Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments. J Comput Aided Mol Des. 2013;27(3):221\u201334.","journal-title":"J Comput Aided Mol Des"},{"issue":"7","key":"1379_CR51","doi-asserted-by":"crossref","first-page":"1739","DOI":"10.1021\/jm0306430","volume":"47","author":"RA Friesner","year":"2004","unstructured":"Friesner RA, Banks JL, Murphy RB, Halgren TA, Klicic JJ, Mainz DT, Repasky MP, Knoll EH, Shelley M, Perry JK. Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy. J Med Chem. 2004;47(7):1739\u201349.","journal-title":"J Med Chem"},{"issue":"7","key":"1379_CR52","doi-asserted-by":"crossref","first-page":"1750","DOI":"10.1021\/jm030644s","volume":"47","author":"TA Halgren","year":"2004","unstructured":"Halgren TA, Murphy RB, Friesner RA, Beard HS, Frye LL, Pollard WT, Banks JL. Glide: a new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening. J Med Chem. 2004;47(7):1750\u20139.","journal-title":"J Med Chem"},{"key":"1379_CR53","doi-asserted-by":"crossref","unstructured":"Vittinghoff E, Glidden DV, Shiboski SC, McCulloch CE. Regression methods in biostatistics: linear, logistic, survival, and repeated measures models. Springer Science & Business Media. 2011.","DOI":"10.1007\/978-1-4614-1353-0"},{"issue":"1","key":"1379_CR54","doi-asserted-by":"crossref","first-page":"128","DOI":"10.1097\/EDE.0b013e3181c30fb2","volume":"21","author":"EW Steyerberg","year":"2010","unstructured":"Steyerberg EW, Vickers AJ, Cook NR, Gerds T, Gonen M, Obuchowski N, Pencina MJ, Kattan MW. Assessing the performance of prediction models: a framework for some traditional and novel measures. Epidemiology (Cambridge, Mass). 2010;21(1):128.","journal-title":"Epidemiology (Cambridge, Mass)"}],"container-title":["BMC Bioinformatics"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1186\/s12859-016-1379-9.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,8,21]],"date-time":"2023-08-21T11:45:47Z","timestamp":1692618347000},"score":1,"resource":{"primary":{"URL":"http:\/\/bmcbioinformatics.biomedcentral.com\/articles\/10.1186\/s12859-016-1379-9"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2016,12]]},"references-count":54,"journal-issue":{"issue":"S19","published-print":{"date-parts":[[2016,12]]}},"alternative-id":["1379"],"URL":"https:\/\/doi.org\/10.1186\/s12859-016-1379-9","relation":{},"ISSN":["1471-2105"],"issn-type":[{"value":"1471-2105","type":"electronic"}],"subject":[],"published":{"date-parts":[[2016,12]]},"article-number":"515"}}