{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,8]],"date-time":"2025-10-08T22:24:17Z","timestamp":1759962257379},"reference-count":28,"publisher":"Springer Science and Business Media LLC","issue":"6","license":[{"start":{"date-parts":[[2006,5,3]],"date-time":"2006-05-03T00:00:00Z","timestamp":1146614400000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/www.springer.com\/tdm"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J Mol Model"],"published-print":{"date-parts":[[2006,9]]},"DOI":"10.1007\/s00894-005-0055-1","type":"journal-article","created":{"date-parts":[[2006,5,2]],"date-time":"2006-05-02T09:53:06Z","timestamp":1146563586000},"page":"953-963","source":"Crossref","is-referenced-by-count":2,"title":["The structure of 5a,6\u2013anhydrotetracycline and its Mg2+ complexes in aqueous solution"],"prefix":"10.1007","volume":"12","author":[{"given":"Olaf G.","family":"Othersen","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Harald","family":"Lanig","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Timothy","family":"Clark","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"297","published-online":{"date-parts":[[2006,5,3]]},"reference":[{"key":"55_CR1","doi-asserted-by":"crossref","first-page":"232","DOI":"10.1128\/MMBR.65.2.232-260.2001","volume":"65","author":"I Chopra","year":"2001","unstructured":"Chopra I, Roberts M (2001) Microbiol Mol Biol R 65:232\u2013260","journal-title":"Microbiol Mol Biol R"},{"key":"55_CR2","doi-asserted-by":"crossref","unstructured":"Hinrichs W, Orth P, Kisker C, Schnappinger D, Hillen W, Saenger W (1999) NATO Science Series, Series C: Mathematical and Physical Sciences 519:349\u2013365","DOI":"10.1007\/978-94-011-5284-6_24"},{"key":"55_CR3","first-page":"355","volume":"8","author":"W Hillen","year":"2002","unstructured":"Hillen W, Berens C (2002) BIOspektrum 8:355\u2013358","journal-title":"BIOspektrum"},{"key":"55_CR4","doi-asserted-by":"crossref","first-page":"1755","DOI":"10.1021\/jo00210a038","volume":"50","author":"T Hasan","year":"1985","unstructured":"Hasan T, Allen M, Cooperman BS (1985) J Org Chem 50:1755\u20131757","journal-title":"J Org Chem"},{"key":"55_CR5","doi-asserted-by":"crossref","first-page":"10914","DOI":"10.1021\/bi001018p","volume":"39","author":"O Scholz","year":"2000","unstructured":"Scholz O, Schubert P, Kintrup M, Hillen W (2000) Biochemistry 39:10914\u201310920","journal-title":"Biochemistry"},{"key":"55_CR6","doi-asserted-by":"crossref","first-page":"341","DOI":"10.1016\/0022-2836(86)90437-7","volume":"187","author":"M Takahashi","year":"1986","unstructured":"Takahashi M, Altschmied L, Hillen W (1986) J Mol Bio 187:341\u2013348","journal-title":"J Mol Bio"},{"key":"55_CR7","doi-asserted-by":"crossref","first-page":"5361","DOI":"10.1016\/S0040-4039(00)75384-6","volume":"9","author":"LA Mitscher","year":"1968","unstructured":"Mitscher LA, Bonacci AC, Sokoloski TD (1968) Tetrahedron Lett 9:5361\u20135364","journal-title":"Tetrahedron Lett"},{"key":"55_CR8","doi-asserted-by":"crossref","first-page":"46","DOI":"10.1007\/s008940050104","volume":"5","author":"H Lanig","year":"1999","unstructured":"Lanig H, Gottschalk M, Schneider S, Clark T (1999) J Mol Model 5:46\u201362","journal-title":"J Mol Model"},{"key":"55_CR9","doi-asserted-by":"crossref","first-page":"13743","DOI":"10.1021\/jp0364506","volume":"107","author":"OG Othersen","year":"2003","unstructured":"Othersen OG, Beierlein F, Lanig H, Clark T (2003) J Phys Chem B 107:13743\u201313749","journal-title":"J Phys Chem B"},{"key":"55_CR10","unstructured":"Othersen OG, Lanig H, Clark T (2006) J Phys Chem B (in preparation)"},{"key":"55_CR11","doi-asserted-by":"crossref","first-page":"5571","DOI":"10.1021\/jm034199c","volume":"46","author":"OG Othersen","year":"2003","unstructured":"Othersen OG, Lanig H, Clark T (2003) J Med Chem 46:5571\u20135574","journal-title":"J Med Chem"},{"key":"55_CR12","doi-asserted-by":"crossref","first-page":"163","DOI":"10.1016\/0162-0134(95)00017-I","volume":"60","author":"FC Machado","year":"1995","unstructured":"Machado FC, Demicheli C, Garnier-Suillerot A, Beraldo H (1995) J Inorg Biochem 60:163\u2013173","journal-title":"J Inorg Biochem"},{"key":"55_CR13","doi-asserted-by":"crossref","first-page":"17","DOI":"10.1007\/s00894-004-0213-x","volume":"11","author":"U Cosentino","year":"2005","unstructured":"Cosentino U, Var\u00ec RM, Saracino GAA, Pitea D, Moro G, Salmona M (2005) J Mol Model 11:17\u201325","journal-title":"J Mol Model"},{"key":"55_CR14","doi-asserted-by":"crossref","first-page":"6072","DOI":"10.1021\/jp037517s","volume":"108","author":"AS Petrov","year":"2004","unstructured":"Petrov AS, George R, Lamm G (2004) J Phys Chem B 108:6072\u20136081","journal-title":"J Phys Chem B"},{"key":"55_CR15","volume-title":"AMBER 5","author":"DA Case","year":"1997","unstructured":"Case DA, Pearlman DA, Caldwell JW, Cheatham III TE, Ross WS, Simmerling CL, Darden TA, Merz Jr KM, Stanton RV, Cheng AL, Vincent JJ, Crowley M, Ferguson DM, Radmer RJ, Seibel GL, Singh UC, Weiner PK, Kollman PA (1997) AMBER 5. University of California, San Francisco"},{"key":"55_CR16","doi-asserted-by":"crossref","first-page":"5179","DOI":"10.1021\/ja00124a002","volume":"117","author":"WD Cornell","year":"1995","unstructured":"Cornell WD, Cieplak P, Bayly C, Gould IR, Merz Jr KM, Ferguson DM, Spellmeyer DC, Fox T, Caldwell JW, Kollman PA (1995) J Am Chem Soc 117:5179\u20135197","journal-title":"J Am Chem Soc"},{"key":"55_CR17","unstructured":"Clark T, Alex A, Beck B, Burkhardt F, Chandrasekhar J, Gedeck P, Horn AHC, Hutter M, Martin B, Rauhut G, Sauer W, Schindler T, Steinke T (2003) Vamp, 9.0. Erlangen"},{"key":"55_CR18","doi-asserted-by":"crossref","first-page":"3902","DOI":"10.1021\/ja00299a024","volume":"107","author":"MJS Dewar","year":"1985","unstructured":"Dewar MJS, Zoebisch EG, Healy EF, Stewart JJP (1985) J Am Chem Soc 107:3902\u20133909","journal-title":"J Am Chem Soc"},{"key":"55_CR19","doi-asserted-by":"crossref","first-page":"8080","DOI":"10.1021\/jp9805205","volume":"102","author":"MC Hutter","year":"1998","unstructured":"Hutter MC, Reimers JR, Hush NS (1998) J Phys Chem B 102:8080\u20138090","journal-title":"J Phys Chem B"},{"key":"55_CR20","doi-asserted-by":"crossref","first-page":"799","DOI":"10.1039\/P29930000799","volume":"2","author":"A Klamt","year":"1993","unstructured":"Klamt A, Sch\u00fc\u00fcrmann G (1993) J Chem Soc Perk T 2:799\u2013805","journal-title":"J Chem Soc Perk T"},{"key":"55_CR21","unstructured":"Grassy G, Blaney F, Bradshaw J, Huxley P, Lahana R, Snarey M (2000) Tsar 3.3. Oxford"},{"key":"55_CR22","doi-asserted-by":"crossref","first-page":"236","DOI":"10.1080\/01621459.1963.10500845","volume":"58","author":"JH Ward","year":"1963","unstructured":"Ward JH (1963) JASA 58:236\u2013244","journal-title":"JASA"},{"key":"55_CR23","unstructured":"Protein Data Bank, http:\/\/www.rcsb.org\/pdb"},{"key":"55_CR24","unstructured":"Heisterberg D, Labanowski J (1992) Quatfit. Columbus, Ohio; http:\/\/www.ccl.net\/cca\/software\/SOURCES\/C\/quaternion-mol-fit\/index.shtml"},{"key":"55_CR25","doi-asserted-by":"crossref","first-page":"190","DOI":"10.1021\/js970275l","volume":"87","author":"HF Santos Dos","year":"1998","unstructured":"Dos Santos HF, de Almeida WB, Zerner MC (1998) J Pharm Sci 87:190\u2013195","journal-title":"J Pharm Sci"},{"key":"55_CR26","doi-asserted-by":"crossref","first-page":"305","DOI":"10.1016\/S0166-1280(03)00126-X","volume":"626","author":"HF Santos Dos","year":"2003","unstructured":"Dos Santos HF, Nascimento Jr CS, Belletato P, de Almeida WB (2003) J Mol Struct (Theochem) 626:305\u2013319","journal-title":"J Mol Struct (Theochem)"},{"key":"55_CR27","doi-asserted-by":"crossref","first-page":"1101","DOI":"10.1021\/js980035l","volume":"87","author":"WB Almeida de","year":"1998","unstructured":"de Almeida WB, Dos Santos HF, Zerner MC (1998) J Pharm Sci 87:1101\u20131108","journal-title":"J Pharm Sci"},{"key":"55_CR28","doi-asserted-by":"crossref","first-page":"2531","DOI":"10.1039\/a801775a","volume":"15","author":"WB Almeida de","year":"1998","unstructured":"de Almeida WB, Dos Santos HF, Rocha WR, Zerner MC (1998) J Chem Soc, Dalton Trans 15:2531\u20132536","journal-title":"J Chem Soc, Dalton Trans"}],"container-title":["Journal of Molecular Modeling"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s00894-005-0055-1.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/article\/10.1007\/s00894-005-0055-1\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s00894-005-0055-1","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2019,5,29]],"date-time":"2019-05-29T06:48:07Z","timestamp":1559112487000},"score":1,"resource":{"primary":{"URL":"http:\/\/link.springer.com\/10.1007\/s00894-005-0055-1"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2006,5,3]]},"references-count":28,"journal-issue":{"issue":"6","published-print":{"date-parts":[[2006,9]]}},"alternative-id":["55"],"URL":"https:\/\/doi.org\/10.1007\/s00894-005-0055-1","relation":{},"ISSN":["1610-2940","0948-5023"],"issn-type":[{"value":"1610-2940","type":"print"},{"value":"0948-5023","type":"electronic"}],"subject":[],"published":{"date-parts":[[2006,5,3]]}}}