{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,11,4]],"date-time":"2025-11-04T22:58:17Z","timestamp":1762297097613},"reference-count":53,"publisher":"American Chemical Society (ACS)","issue":"5","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2006,9,1]]},"DOI":"10.1021\/ci0600760","type":"journal-article","created":{"date-parts":[[2006,7,30]],"date-time":"2006-07-30T05:16:17Z","timestamp":1154236577000},"page":"2183-2190","source":"Crossref","is-referenced-by-count":7,"title":["Absolute Net Charge and the Biological Activity of Oligopeptides"],"prefix":"10.1021","volume":"46","author":[{"given":"Laavanya","family":"Parthasarathi","sequence":"first","affiliation":[{"name":"UCD Conway Institute of Biomolecular and Biomedical Sciences, University College Dublin, Dublin 4, Republic of Ireland, Centre for Synthesis & Chemical Biology and Department of Medicinal and Pharmaceutical Chemistry and Department of Molecular and Cellular Therapeutics, Royal College of Surgeons in Ireland (RCSI), Dublin 2, Republic of Ireland"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Marc","family":"Devocelle","sequence":"additional","affiliation":[{"name":"UCD Conway Institute of Biomolecular and Biomedical Sciences, University College Dublin, Dublin 4, Republic of Ireland, Centre for Synthesis & Chemical Biology and Department of Medicinal and Pharmaceutical Chemistry and Department of Molecular and Cellular Therapeutics, Royal College of Surgeons in Ireland (RCSI), Dublin 2, Republic of Ireland"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Chresten","family":"S\u00f8ndergaard","sequence":"additional","affiliation":[{"name":"UCD Conway Institute of Biomolecular and Biomedical Sciences, University College Dublin, Dublin 4, Republic of Ireland, Centre for Synthesis & Chemical Biology and Department of Medicinal and Pharmaceutical Chemistry and Department of Molecular and Cellular Therapeutics, Royal College of Surgeons in Ireland (RCSI), Dublin 2, Republic of Ireland"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ivan","family":"Baran","sequence":"additional","affiliation":[{"name":"UCD Conway Institute of Biomolecular and Biomedical Sciences, University College Dublin, Dublin 4, Republic of Ireland, Centre for Synthesis & Chemical Biology and Department of Medicinal and Pharmaceutical Chemistry and Department of Molecular and Cellular Therapeutics, Royal College of Surgeons in Ireland (RCSI), Dublin 2, Republic of Ireland"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Colm T.","family":"O'Dushlaine","sequence":"additional","affiliation":[{"name":"UCD Conway Institute of Biomolecular and Biomedical Sciences, University College Dublin, Dublin 4, Republic of Ireland, Centre for Synthesis & Chemical Biology and Department of Medicinal and Pharmaceutical Chemistry and Department of Molecular and Cellular Therapeutics, Royal College of Surgeons in Ireland (RCSI), Dublin 2, Republic of Ireland"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Norman E.","family":"Davey","sequence":"additional","affiliation":[{"name":"UCD Conway Institute of Biomolecular and Biomedical Sciences, University College Dublin, Dublin 4, Republic of Ireland, Centre for Synthesis & Chemical Biology and Department of Medicinal and Pharmaceutical Chemistry and Department of Molecular and Cellular Therapeutics, Royal College of Surgeons in Ireland (RCSI), Dublin 2, Republic of Ireland"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Richard J.","family":"Edwards","sequence":"additional","affiliation":[{"name":"UCD Conway Institute of Biomolecular and Biomedical Sciences, University College Dublin, Dublin 4, Republic of Ireland, Centre for Synthesis & Chemical Biology and Department of Medicinal and Pharmaceutical Chemistry and Department of Molecular and Cellular Therapeutics, Royal College of Surgeons in Ireland (RCSI), Dublin 2, Republic of Ireland"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Niamh","family":"Moran","sequence":"additional","affiliation":[{"name":"UCD Conway Institute of Biomolecular and Biomedical Sciences, University College Dublin, Dublin 4, Republic of Ireland, Centre for Synthesis & Chemical Biology and Department of Medicinal and Pharmaceutical Chemistry and Department of Molecular and Cellular Therapeutics, Royal College of Surgeons in Ireland (RCSI), Dublin 2, Republic of Ireland"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Dermot","family":"Kenny","sequence":"additional","affiliation":[{"name":"UCD Conway Institute of Biomolecular and Biomedical Sciences, University College Dublin, Dublin 4, Republic of Ireland, Centre for Synthesis & Chemical Biology and Department of Medicinal and Pharmaceutical Chemistry and Department of Molecular and Cellular Therapeutics, Royal College of Surgeons in Ireland (RCSI), Dublin 2, Republic of Ireland"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Denis C.","family":"Shields","sequence":"additional","affiliation":[{"name":"UCD Conway Institute of Biomolecular and Biomedical Sciences, University College Dublin, Dublin 4, Republic of Ireland, Centre for Synthesis & Chemical Biology and Department of Medicinal and Pharmaceutical Chemistry and Department of Molecular and Cellular Therapeutics, Royal College of Surgeons in Ireland (RCSI), Dublin 2, Republic of Ireland"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2006,7,29]]},"reference":[{"key":"ci0600760b00001\/ci0600760b00001_1","first-page":"10","volume":"27","author":"Yang Z. Z.","year":"2006","journal-title":"J. Comput. Chem."},{"key":"ci0600760b00002\/ci0600760b00002_1","doi-asserted-by":"crossref","first-page":"95","DOI":"10.1002\/1097-0282(2001)60:2<79::AID-BIP1006>3.0.CO;2-L","volume":"60","author":"Groth M.","year":"2001","journal-title":"Biopolymers"},{"key":"ci0600760b00003\/ci0600760b00003_1","doi-asserted-by":"crossref","first-page":"163","DOI":"10.1016\/0022-2836(91)90881-6","volume":"218","author":"Hilbich C.","year":"1991","journal-title":"J. Mol. Biol."},{"key":"ci0600760b00004\/ci0600760b00004_1","doi-asserted-by":"crossref","first-page":"932","DOI":"10.1002\/bip.360330608","volume":"33","author":"Powers M. E.","year":"1993","journal-title":"Biopolymers"},{"key":"ci0600760b00005\/ci0600760b00005_1","first-page":"217","volume":"18","author":"Mayo K. H","year":"2000","journal-title":"Trends Biotechnol."},{"key":"ci0600760b00007\/ci0600760b00007_1","doi-asserted-by":"crossref","first-page":"584","DOI":"10.1016\/S0022-2836(02)00969-5","volume":"323","author":"Iakoucheva L. M.","year":"2002","journal-title":"J. Mol. Biol."},{"key":"ci0600760b00008\/ci0600760b00008_1","doi-asserted-by":"crossref","first-page":"59","DOI":"10.1016\/S1093-3263(00)00138-8","volume":"19","author":"Dunker A. K.","year":"2001","journal-title":"J. Mol. Graphics Modell."},{"key":"ci0600760b00009\/ci0600760b00009_1","doi-asserted-by":"crossref","first-page":"331","DOI":"10.1006\/jmbi.1999.3110","volume":"293","author":"Wright P. E.","year":"1999","journal-title":"J. Mol. Biol."},{"key":"ci0600760b00010\/ci0600760b00010_1","doi-asserted-by":"crossref","first-page":"3345","DOI":"10.1016\/j.febslet.2005.04.005","volume":"579","author":"Neduva V.","year":"2005","journal-title":"FEBS Lett."},{"key":"ci0600760b00011\/ci0600760b00011_1","first-page":"409","volume":"1","author":"Mu\u00f1oz V.","year":"1994","journal-title":"Nat. Struct. Biol."},{"key":"ci0600760b00012\/ci0600760b00012_1","first-page":"296","volume":"245","author":"Mu\u00f1oz V.","year":"1994","journal-title":"J. Mol. Biol."},{"key":"ci0600760b00013\/ci0600760b00013_1","first-page":"308","volume":"245","author":"Mu\u00f1oz V.","year":"1994","journal-title":"J. Mol. Biol."},{"key":"ci0600760b00014\/ci0600760b00014_1","doi-asserted-by":"crossref","first-page":"509","DOI":"10.1002\/(SICI)1097-0282(19970415)41:5<495::AID-BIP2>3.0.CO;2-H","volume":"41","author":"Mu\u00f1oz V.","year":"1997","journal-title":"Biopolymers"},{"key":"ci0600760b00015\/ci0600760b00015_1","doi-asserted-by":"crossref","first-page":"191","DOI":"10.1006\/jmbi.1998.2145","volume":"284","author":"Lacroix E.","year":"1998","journal-title":"J. Mol. Biol."},{"key":"ci0600760b00016\/ci0600760b00016_1","doi-asserted-by":"crossref","first-page":"103","DOI":"10.1042\/bj20031393","volume":"378","author":"Lockwood N. A.","year":"2004","journal-title":"Biochem. J."},{"key":"ci0600760b00017\/ci0600760b00017_1","first-page":"433","volume":"196","author":"Guo B.","year":"1999","journal-title":"J. Cryst. Growth"},{"key":"ci0600760b00018\/ci0600760b00018_1","volume-title":"version","author":"Molecular Operating Enviroment","year":"2005"},{"key":"ci0600760b00019\/ci0600760b00019_1","doi-asserted-by":"crossref","first-page":"287","DOI":"10.1007\/BF01024949","volume":"8","author":"Ripoll D. R.","year":"1989","journal-title":"J. Protein Chem."},{"key":"ci0600760b00020\/ci0600760b00020_1","doi-asserted-by":"crossref","first-page":"176","DOI":"10.1002\/bip.360300116","volume":"30","author":"Ripoll D. R.","year":"1990","journal-title":"Biopolymers"},{"key":"ci0600760b00021\/ci0600760b00021_1","doi-asserted-by":"crossref","first-page":"6129","DOI":"10.1021\/ja00172a038","volume":"112","author":"Still W. C.","year":"1990","journal-title":"J. Am. Chem. Soc."},{"key":"ci0600760b00022\/ci0600760b00022_1","first-page":"3014","volume":"101","author":"Qiu D.","year":"1997","journal-title":"J. Phys. Chem. A"},{"key":"ci0600760b00023\/ci0600760b00023_1","doi-asserted-by":"crossref","first-page":"1599","DOI":"10.1021\/jp9521621","volume":"100","author":"Schaefer M.","year":"1996","journal-title":"J. Phys. Chem."},{"key":"ci0600760b00024\/ci0600760b00024_1","doi-asserted-by":"crossref","first-page":"2637","DOI":"10.1002\/bip.360221211","volume":"22","author":"Kabsch W.","year":"1983","journal-title":"Biopolymers"},{"key":"ci0600760b00025\/ci0600760b00025_1","volume-title":"v. 2.1","author":"RASTOP"},{"key":"ci0600760b00026\/ci0600760b00026_1","doi-asserted-by":"crossref","first-page":"W594","DOI":"10.1093\/nar\/gkh931","volume":"32","author":"Maiti R.","year":"2004","journal-title":"Nucleic Acids Res."},{"key":"ci0600760b00027\/ci0600760b00027_1","doi-asserted-by":"crossref","first-page":"305","DOI":"10.1063\/1.1724036","volume":"13","author":"McMillan W. G.","year":"1945","journal-title":"J. Chem. Phys."},{"key":"ci0600760b00028\/ci0600760b00028_1","doi-asserted-by":"crossref","first-page":"313","DOI":"10.1063\/1.1749657","volume":"3","author":"Kirkwood J. G","year":"1935","journal-title":"J. Chem. Phys."},{"key":"ci0600760b00029\/ci0600760b00029_1","doi-asserted-by":"crossref","first-page":"5197","DOI":"10.1021\/ja00124a002","volume":"117","author":"Cornell W. D.","year":"1995","journal-title":"J. Am. Chem. Soc."},{"key":"ci0600760b00030\/ci0600760b00030_1","volume-title":"Funct., Genet.","author":"Klapper I.","year":"1986"},{"key":"ci0600760b00031\/ci0600760b00031_1","first-page":"2477","volume":"75","author":"Neal B. L.","year":"1998","journal-title":"Biophys. J."},{"key":"ci0600760b00032\/ci0600760b00032_1","first-page":"987","volume":"70","author":"Roth C. M.","year":"1996","journal-title":"Biophys. J."},{"key":"ci0600760b00033\/ci0600760b00033_1","doi-asserted-by":"crossref","first-page":"451","DOI":"10.1021\/j100785a001","volume":"68","author":"Bondi A","year":"1964","journal-title":"J. Phys. Chem."},{"key":"ci0600760b00034\/ci0600760b00034_1","volume-title":"Numerical Recipes in C \u2212 The Art of Scientific Computing","author":"Press W.","year":"2002"},{"key":"ci0600760b00035\/ci0600760b00035_1","doi-asserted-by":"crossref","first-page":"277","DOI":"10.1016\/S0168-9525(00)02024-2","volume":"16","author":"Rice P.","year":"2000","journal-title":"Trends Genet."},{"key":"ci0600760b00036\/ci0600760b00036_1","doi-asserted-by":"crossref","first-page":"144","DOI":"10.1073\/pnas.81.1.140","volume":"81","author":"Eisenberg D.","year":"1984","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ci0600760b00037\/ci0600760b00037_1","doi-asserted-by":"crossref","first-page":"215","DOI":"10.1046\/j.1365-2796.2003.01228.x","volume":"254","author":"Boman H. G.","year":"2003","journal-title":"J. Intern. Med."},{"key":"ci0600760b00038\/ci0600760b00038_1","doi-asserted-by":"crossref","first-page":"3434","DOI":"10.1093\/bioinformatics\/bti541","volume":"21","author":"Dosztanyi Z.","year":"2005","journal-title":"Bioinformatics"},{"key":"ci0600760b00039\/ci0600760b00039_1","first-page":"1459","volume":"11","author":"Linding R.","year":"2003","journal-title":"Structure (Cambridge, MA, U.S.)"},{"key":"ci0600760b00040\/ci0600760b00040_1","doi-asserted-by":"crossref","first-page":"3708","DOI":"10.1093\/nar\/gkg519","volume":"31","author":"Linding R.","year":"2003","journal-title":"Nucleic Acids Res."},{"key":"ci0600760b00041\/ci0600760b00041_1","doi-asserted-by":"crossref","first-page":"3630","DOI":"10.1093\/nar\/gkg545","volume":"31","author":"Puntervoll P.","year":"2003","journal-title":"Nucleic Acids Res."},{"key":"ci0600760b00042\/ci0600760b00042_1","doi-asserted-by":"crossref","first-page":"3641","DOI":"10.1093\/nar\/gkg584","volume":"31","author":"Obenauer J. C.","year":"2003","journal-title":"Nucleic Acids Res."},{"key":"ci0600760b00043\/ci0600760b00043_1","doi-asserted-by":"crossref","first-page":"2527","DOI":"10.1093\/bioinformatics\/bti333","volume":"21","author":"Plewczynski D.","year":"2005","journal-title":"Bioinformatics"},{"key":"ci0600760b00044\/ci0600760b00044_1","doi-asserted-by":"crossref","first-page":"405","DOI":"10.1093\/bioinformatics\/16.4.404","volume":"16","author":"McGuffin L. J.","year":"2000","journal-title":"Bioinformatics"},{"key":"ci0600760b00045\/ci0600760b00045_1","first-page":"205","volume":"2003","author":"Pham T. H.","year":"2003","journal-title":"Genome Inf. Ser. n14"},{"key":"ci0600760b00046\/ci0600760b00046_1","first-page":"358","volume":"3","author":"Pham T. H.","year":"2005","journal-title":"J. Bioinf. Comput. Biol."},{"key":"ci0600760b00047\/ci0600760b00047_1","doi-asserted-by":"crossref","first-page":"159","DOI":"10.1093\/nar\/gni161","volume":"33","author":"Kumar M.","year":"2005","journal-title":"Nucleic Acids Res."},{"key":"ci0600760b00048\/ci0600760b00048_1","doi-asserted-by":"crossref","first-page":"174","DOI":"10.1016\/0014-5793(90)80535-Q","volume":"276","author":"Kolaskar A. S.","year":"1990","journal-title":"FEBS Lett."},{"key":"ci0600760b00050\/ci0600760b00050_1","doi-asserted-by":"crossref","first-page":"438","DOI":"10.1016\/S0065-3233(08)60403-9","volume":"23","author":"Ramachandran G. N.","year":"1968","journal-title":"Adv Protein Chem."},{"key":"ci0600760b00051\/ci0600760b00051_1","first-page":"1018","volume":"14","author":"Ho B. K.","year":"2005","journal-title":"Protein Sci."},{"key":"ci0600760b00052\/ci0600760b00052_1","first-page":"365","volume":"50","author":"George A.","year":"1994","journal-title":"Acta Crystallogr."},{"key":"ci0600760b00053\/ci0600760b00053_1","first-page":"433","volume":"196","author":"Guo B.","year":"1999","journal-title":"J. Cryst. Growth"},{"key":"ci0600760b00054\/ci0600760b00054_1","doi-asserted-by":"crossref","first-page":"2811","DOI":"10.1021\/jp984035l","volume":"103","author":"Haas C.","year":"1999","journal-title":"J. Phys. Chem. B."},{"key":"ci0600760b00055\/ci0600760b00055_1","doi-asserted-by":"crossref","first-page":"735","DOI":"10.1002\/bip.20286","volume":"80","author":"Toke O.","year":"2005","journal-title":"Biopolym. (Pept. Sci.)"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci0600760","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,3,23]],"date-time":"2023-03-23T23:46:30Z","timestamp":1679615190000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci0600760"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2006,7,29]]},"references-count":53,"journal-issue":{"issue":"5","published-print":{"date-parts":[[2006,9,1]]}},"alternative-id":["10.1021\/ci0600760"],"URL":"https:\/\/doi.org\/10.1021\/ci0600760","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2006,7,29]]}}}