{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,9,28]],"date-time":"2025-09-28T12:33:36Z","timestamp":1759062816461,"version":"3.41.0"},"reference-count":39,"publisher":"Springer Science and Business Media LLC","issue":"11","license":[{"start":{"date-parts":[[2001,11,1]],"date-time":"2001-11-01T00:00:00Z","timestamp":1004572800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.springernature.com\/gp\/researchers\/text-and-data-mining"},{"start":{"date-parts":[[2001,11,1]],"date-time":"2001-11-01T00:00:00Z","timestamp":1004572800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/www.springernature.com\/gp\/researchers\/text-and-data-mining"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J Comput Aided Mol Des"],"published-print":{"date-parts":[[2001,11]]},"DOI":"10.1023\/a:1014888730876","type":"journal-article","created":{"date-parts":[[2002,12,28]],"date-time":"2002-12-28T21:20:03Z","timestamp":1041110403000},"page":"961-978","source":"Crossref","is-referenced-by-count":17,"title":["Molecular electrostatic potentials as input for the alignment of HIV-1 integrase inhibitors in 3D QSAR"],"prefix":"10.1007","volume":"15","author":[{"given":"Mahindra T.","family":"Makhija","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Vithal M.","family":"Kulkarni","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"297","reference":[{"key":"393127_CR1","first-page":"365","volume":"4","author":"V. Hariprasad","year":"1998","unstructured":"Hariprasad, V., Talele, T.T. and Kulkarni, V.M., Pharmacy Pharmacology Commun., 4 (1998) 365.","journal-title":"Pharmacy Pharmacology Commun."},{"key":"393127_CR2","doi-asserted-by":"crossref","first-page":"2491","DOI":"10.1021\/jm00014a001","volume":"38","author":"E. De Clercq","year":"1995","unstructured":"De Clercq, E., J. Med. Chem., 38 (1995) 2491.","journal-title":"J. Med. Chem."},{"key":"393127_CR3","doi-asserted-by":"crossref","first-page":"13040","DOI":"10.1073\/pnas.96.23.13040","volume":"96","author":"Y. Goldgur","year":"1999","unstructured":"Goldgur, Y., Craigie, R., Cohen, H. G., Fujiwara, T., Yoshinaga, T., Fujishita, T., Sugimoto, H., Endo, T., Murai, H. and Davies, R. D., Proc. Natl. Acad. Sci. USA, 96 (1999) 13040.","journal-title":"Proc. Natl. Acad. Sci. USA"},{"key":"393127_CR4","doi-asserted-by":"crossref","first-page":"1169","DOI":"10.1128\/jvi.67.3.1169-1174.1993","volume":"7","author":"H. Sakai","year":"1993","unstructured":"Sakai, H., Kawamura, M., Sakuragi, J., Sakuragi, S., Shibata, R., Ishimoto, A., Ono, H., Ueda, S. and Adachi, A., J. Virol., 7 (1993) 1169.","journal-title":"J. Virol."},{"key":"393127_CR5","doi-asserted-by":"crossref","first-page":"8401","DOI":"10.1128\/jvi.68.12.8401-8405.1994","volume":"68","author":"B. Taddeo","year":"1994","unstructured":"Taddeo, B., Haseltine, W.A. and Farnet, C.M., J. Virol., 68 (1994) 8401.","journal-title":"J. Virol."},{"key":"393127_CR6","doi-asserted-by":"crossref","first-page":"2729","DOI":"10.1128\/jvi.69.5.2729-2736.1995","volume":"69","author":"A. Engelman","year":"1995","unstructured":"Engelman, A., Englund, G., Orenstein, J.M., Martin, M.A. and Craigie, R., J. Virol., 69 (1995) 2729.","journal-title":"J. Virol."},{"key":"393127_CR7","doi-asserted-by":"crossref","first-page":"527","DOI":"10.1146\/annurev.ge.26.120192.002523","volume":"26","author":"S.P. Goff","year":"1992","unstructured":"Goff, S.P., Annu. Rev. Genet., 26 (1992) 527.","journal-title":"Annu. Rev. Genet."},{"key":"393127_CR8","doi-asserted-by":"crossref","first-page":"187","DOI":"10.1016\/0168-9525(92)90223-Q","volume":"8","author":"R. Craigie","year":"1992","unstructured":"Craigie, R., Trends Genet., 8 (1992) 187.","journal-title":"Trends Genet."},{"key":"393127_CR9","doi-asserted-by":"crossref","first-page":"483","DOI":"10.1177\/095632029700800601","volume":"8","author":"Y. Pommier","year":"1997","unstructured":"Pommier, Y., Pilon, A., Bajaj, K., Mazumder, A. and Neamati, N., Antiviral Chem. Chemother., 8 (1997) 483.","journal-title":"Antiviral Chem. Chemother."},{"key":"393127_CR10","doi-asserted-by":"crossref","first-page":"487","DOI":"10.1016\/S1359-6446(97)01105-7","volume":"2","author":"N. Neamati","year":"1997","unstructured":"Neamati, N., Sunder, S. and Pommier, Y., Drug Discovery Today, 2 (1997) 487.","journal-title":"Drug Discovery Today"},{"key":"393127_CR11","doi-asserted-by":"crossref","first-page":"475","DOI":"10.1016\/0006-2952(96)00250-X","volume":"52","author":"C. Stanwell","year":"1996","unstructured":"Stanwell, C., Ye, B., Yuspa, S.H. and Burke, T.R., Jr., Biochem. Pharmacol., 52 (1996) 475.","journal-title":"Biochem. Pharmacol."},{"key":"393127_CR12","doi-asserted-by":"crossref","first-page":"3202","DOI":"10.1021\/jm9801760","volume":"41","author":"N. Neamati","year":"1998","unstructured":"Neamati, N., Hong, H., Owen, J. M., Sunder, S., Winslow, H. E., Christensen, J. L., Zhao, H., Burke, T. R., Jr, Milne, G. W. A., Pommier, Y., J. Med. Chem., 41 (1998) 3202.","journal-title":"J. Med. Chem."},{"key":"393127_CR13","doi-asserted-by":"crossref","first-page":"942","DOI":"10.1021\/jm960759e","volume":"40","author":"N. Neamati","year":"1997","unstructured":"Neamati, N., Hong, H., Mazumder, A., Wang, S., Sunder, S., Nicklaus, M.C., Milne, G.W.A., Proksa, B. and Pommier, Y., J. Med. Chem., 40 (1997) 942.","journal-title":"J. Med. Chem."},{"key":"393127_CR14","doi-asserted-by":"crossref","first-page":"242","DOI":"10.1021\/jm960450v","volume":"40","author":"H. Zhao","year":"1997","unstructured":"Zhao, H., Neamati, N., Hong, H., Mazumder, A., Wang, S., Sunder, S., Milne, G.W. A., Pommier, Y. and Burke, T.R., Jr., J. Med. Chem., 40 (1997) 242.","journal-title":"Jr., J. Med. Chem."},{"key":"393127_CR15","doi-asserted-by":"crossref","first-page":"2472","DOI":"10.1021\/jm960074e","volume":"39","author":"A. Mazumder","year":"1996","unstructured":"Mazumder, A., Wang, S., Neamati, N., Nicklaus, M., Sunder, S., Chen, J., Milne, G.W.A., Rice, W.G., Burke, T.R., Jr and Pommier, Y., J. Med. Chem., 39 (1996) 2472.","journal-title":"J. Med. Chem."},{"key":"393127_CR16","doi-asserted-by":"crossref","first-page":"937","DOI":"10.1021\/jm960755+","volume":"40","author":"H. Zhao","year":"1997","unstructured":"Zhao, H., Neamati, N., Sunder, S., Hong, H., Wang, S., Milne, G.W.A., Pommier, Y. and Burke, T.R., Jr., J.Med. Chem., 40 (1997) 937.","journal-title":"J.Med. Chem."},{"key":"393127_CR17","doi-asserted-by":"crossref","first-page":"3334","DOI":"10.1021\/jm990047z","volume":"42","author":"N. Neamati","year":"1999","unstructured":"Neamati, N., Turpin, J.A., Winslow, H.E., Christensen, J.L., Williamson, K., Orr, A., Rice, W.G., Pommier, Y., Garofalo, A., Brizzi, A., Campiani, G.I. Fiorini and Nacci, V., J. Med. Chem., 42 (1999) 3334.","journal-title":"J. Med. Chem."},{"key":"393127_CR18","doi-asserted-by":"crossref","first-page":"4130","DOI":"10.1021\/jm00050a010","volume":"37","author":"G. Klebe","year":"1994","unstructured":"Klebe, G., Abraham, U. and Mietzner, T., J. Med. Chem., 37 (1994) 4130.","journal-title":"J. Med. Chem."},{"key":"393127_CR19","doi-asserted-by":"crossref","first-page":"87","DOI":"10.1023\/A:1017025803403","volume":"12","author":"G. Klebe","year":"1998","unstructured":"Klebe, G., Perspect. Drug Discovery Des., 12 (1998) 87.","journal-title":"Perspect. Drug Discovery Des."},{"key":"393127_CR20","doi-asserted-by":"crossref","first-page":"458","DOI":"10.1021\/jm981062r","volume":"42","author":"M. Bohm","year":"1999","unstructured":"Bohm, M., Sturzebecher, J. and Klebe, G., J. Med. Chem., 42 (1999) 458.","journal-title":"J. Med. Chem."},{"key":"393127_CR21","unstructured":"Makhija, M.T. and Kulkarni, V.M., J. Comput. Aid. Mol. Des. (Manuscript submitted)."},{"key":"393127_CR22","doi-asserted-by":"crossref","first-page":"958","DOI":"10.1021\/ci990020o","volume":"39","author":"T.T. Talele","year":"1999","unstructured":"Talele, T.T., Kulkarni, S.S. and Kulkarni, V.M., J. Chem. Inf. Comput. Sci., 39 (1999) 958.","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"393127_CR23","unstructured":"Makhija, M.T. and Kulkarni, V.M., J. Chem. Inf. Comput. Sci. (in press)."},{"key":"393127_CR24","doi-asserted-by":"crossref","first-page":"5959","DOI":"10.1021\/ja00226a005","volume":"110","author":"R.D. Cramer III","year":"1988","unstructured":"Cramer, R.D., III, Patterson, D.E. and Bunce, J.D., J. Am. Chem. Soc., 110 (1988) 5959.","journal-title":"J. Am. Chem. Soc."},{"key":"393127_CR25","doi-asserted-by":"crossref","first-page":"373","DOI":"10.1021\/jm9708442","volume":"42","author":"S.S. Kulkarni","year":"1999","unstructured":"Kulkarni, S.S. and Kulkarni, V.M., J. Med. Chem., 42 (1999) 373.","journal-title":"J. Med. Chem."},{"key":"393127_CR26","doi-asserted-by":"crossref","first-page":"5348","DOI":"10.1021\/jm9806852","volume":"42","author":"V.M. Gokhale","year":"1999","unstructured":"Gokhale, V.M. and Kulkarni, V.M., J. Med. Chem., 42 (1999) 5348.","journal-title":"J. Med. Chem."},{"key":"393127_CR27","doi-asserted-by":"crossref","first-page":"3959","DOI":"10.1021\/j100373a017","volume":"94","author":"P. Sjoberg","year":"1990","unstructured":"Sjoberg, P. and Politzer, P., J. Phys. Chem., 94 (1990) 3959.","journal-title":"J. Phys. Chem."},{"key":"393127_CR28","doi-asserted-by":"crossref","first-page":"7339","DOI":"10.1021\/jp0003407","volume":"104","author":"D.S. Kosov","year":"2000","unstructured":"Kosov, D.S. and Popelier, P.L.A., J. Phys. Chem. A, 104 (2000) 7339.","journal-title":"J. Phys. Chem. A"},{"key":"393127_CR29","doi-asserted-by":"crossref","first-page":"1418","DOI":"10.1021\/jm00158a017","volume":"29","author":"D. Kocjan","year":"1986","unstructured":"Kocjan, D., Hodoscek, M. and Hadzi, D., J. Med. Chem., 29 (1986) 1418.","journal-title":"J. Med. Chem."},{"key":"393127_CR30","unstructured":"SYBYL Molecular Modeling System, version 6.6; Tripos, Inc., St. Louis, MO 63144\u20132913."},{"key":"393127_CR31","doi-asserted-by":"crossref","first-page":"982","DOI":"10.1002\/jcc.540100804","volume":"10","author":"M. Clark","year":"1989","unstructured":"Clark, M., Cramer, R.D., III and Van Opdenbosh, N., J. Comput. Chem., 10 (1989) 982.","journal-title":"J. Comput. Chem."},{"key":"393127_CR32","unstructured":"MOPAC 6.0 is available from Quantum Chemistry Program Exchange, Indiana University."},{"key":"393127_CR33","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1007\/BF00128336","volume":"4","author":"J.J.P. Stewart","year":"1990","unstructured":"Stewart, J.J.P., J. Comput. Aid. Mol. Des., 4 (1990) 1.","journal-title":"J. Comput. Aid. Mol. Des."},{"key":"393127_CR34","doi-asserted-by":"crossref","first-page":"615","DOI":"10.1016\/0898-5529(90)90162-2","volume":"3","author":"S.K. Kearsley","year":"1990","unstructured":"Kearsley, S.K. and Smith, G.M., Tetrahedron Comput. Methodol., 3 (1990) 615.","journal-title":"Tetrahedron Comput. Methodol."},{"key":"393127_CR35","volume-title":"CHEMOMETRICS: Mathematics and Statistics in Chemistry","author":"S. Wold","year":"1984","unstructured":"Wold, S., Albano, C., Dunn, W.J., III, Edlund, U., Esbensen, K., Geladi, P., Hellberg, S., Johansson, E., Lindberg, W. and Sjostrom, M., in Kowalski, B. (Ed,) CHEMOMETRICS: Mathematics and Statistics in Chemistry, D. Reidel, Dordrecht, 1984."},{"key":"393127_CR36","doi-asserted-by":"crossref","first-page":"587","DOI":"10.1007\/BF00124364","volume":"7","author":"B.L. Bush","year":"1993","unstructured":"Bush, B.L. and Nachbar, R.B., Jr., J. Comput. Aid. Mol. Des., 7 (1993) 587.","journal-title":"J. Comput. Aid. Mol. Des."},{"key":"393127_CR37","doi-asserted-by":"crossref","first-page":"4152","DOI":"10.1021\/jm00078a003","volume":"36","author":"C.L. Waller","year":"1993","unstructured":"Waller, C.L., Oprea, T.L., Giolliti, A. and Marshall, G.R., J. Med. Chem., 36 (1993) 4152.","journal-title":"J. Med. Chem."},{"key":"393127_CR38","doi-asserted-by":"crossref","first-page":"18","DOI":"10.1002\/qsar.19880070105","volume":"7","author":"R.D. Cramer III","year":"1988","unstructured":"Cramer, R.D., III, Bunce, J.D. and Patterson, D.E., Quant. Struct. Act. Relat., 7 (1988) 18.","journal-title":"Quant. Struct. Act. Relat."},{"key":"393127_CR39","unstructured":"Makhija, M.T. and Kulkarni, V.M., Bioorg. Med. Chem., 2001 (submitted)"}],"container-title":["Journal of Computer-Aided Molecular Design"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1023\/A:1014888730876.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/article\/10.1023\/A:1014888730876\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1023\/A:1014888730876.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,6,6]],"date-time":"2025-06-06T08:42:17Z","timestamp":1749199337000},"score":1,"resource":{"primary":{"URL":"https:\/\/link.springer.com\/10.1023\/A:1014888730876"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2001,11]]},"references-count":39,"journal-issue":{"issue":"11","published-print":{"date-parts":[[2001,11]]}},"alternative-id":["393127"],"URL":"https:\/\/doi.org\/10.1023\/a:1014888730876","relation":{},"ISSN":["0920-654X","1573-4951"],"issn-type":[{"type":"print","value":"0920-654X"},{"type":"electronic","value":"1573-4951"}],"subject":[],"published":{"date-parts":[[2001,11]]}}}