{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,8]],"date-time":"2026-01-08T19:42:45Z","timestamp":1767901365004,"version":"3.49.0"},"reference-count":67,"publisher":"American Chemical Society (ACS)","issue":"9","funder":[{"DOI":"10.13039\/100000078","name":"Division of Materials Research","doi-asserted-by":"publisher","award":["1505343"],"award-info":[{"award-number":["1505343"]}],"id":[{"id":"10.13039\/100000078","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2018,9,24]]},"DOI":"10.1021\/acs.jcim.8b00370","type":"journal-article","created":{"date-parts":[[2018,8,30]],"date-time":"2018-08-30T19:18:26Z","timestamp":1535656706000},"page":"1836-1846","source":"Crossref","is-referenced-by-count":35,"title":["An Orbital-Overlap Complement to Ligand and Binding Site Electrostatic Potential Maps"],"prefix":"10.1021","volume":"58","author":[{"given":"Arshad","family":"Mehmood","sequence":"first","affiliation":[{"name":"Department of Chemistry and Biochemistry, Texas Christian University, 2800 South University Drive, Fort Worth, Texas 76129, United States"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Stephanie I.","family":"Jones","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Biochemistry, Texas Christian University, 2800 South University Drive, Fort Worth, Texas 76129, United States"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2488-0239","authenticated-orcid":true,"given":"Peng","family":"Tao","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Southern Methodist University, P.O. Box 750314, Dallas, Texas 75275, United States"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2572-5273","authenticated-orcid":true,"given":"Benjamin G.","family":"Janesko","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Biochemistry, Texas Christian University, 2800 South University Drive, Fort Worth, Texas 76129, United States"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2018,8,30]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1021\/ja01355a027"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1126\/science.218.4574.747"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1002\/anie.198207113"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1021\/ja01004a002"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201702715"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1016\/S0167-4889(99)00077-4"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1021\/jm3016427"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1021\/ja066950n"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1146\/annurev.physchem.55.091602.094410"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1021\/cr500524c"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1021\/jm201243p"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmc.2013.05.067"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.5b00836"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1126\/science.7761829"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1218509110"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmc.2007.10.094"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1016\/j.theochem.2009.10.031"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1021\/ct9005085"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/jm950520i"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1007\/BF02708346"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1021\/jp9034584"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1063\/1.4897264"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.22885"},{"key":"ref24\/cit24","unstructured":"Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Petersson, G. A.; Nakatsuji, H.; Li, X.; Caricato, M.; Marenich, A.; Bloino, J.; Janesko, B. G.; Gomperts, R.; Mennucci, B.; Hratchian, H. P.; Ortiz, J. V.; Izmaylov, A. F.; Sonnenberg, J. L.; Williams-Young, D.; Ding, F.; Lipparini, F.; Egidi, F.; Goings, J.; Peng, B.; Petrone, A.; Henderson, T.; Ranasinghe, D.; Zakrzewski, V. G.; Gao, J.; Rega, N.; Zheng, G.; Liang, W.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T.; Throssell, K.; Montgomery, J. A., Jr.; Peralta, J. E.; Ogliaro, F.; Bearpark, M.; Heyd, J. J.; Brothers, E. N.; Kudin, K. N.; Staroverov, V. N.; Keith, T. A.; Kobayashi, R.; Normand, J.; Raghavachari, K.; Rendell, A. P.; Burant, J. C.; Iyengar, S. S.; Tomasi, J.; Cossi, M.; Millam, J. M.; Klene, M.; Adamo, C.; Cammi, R.; Ochterski, J. W.; Martin, R. L.; Morokuma, K.; Farkas, O.; Foresman, J. B.; Fox, D. J. Gaussian 16, revision A.03; Gaussian, Inc.: Wallingford, CT, 2016."},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1063\/1.458517"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1063\/1.1740588"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1016\/0040-4020(68)88057-3"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1021\/jp802272r"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1039\/C5CP01967B"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1016\/j.susc.2017.01.005"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.6b00343"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.5b00242"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00993"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1063\/1.1841222"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.24421"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1139\/v96-122"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1002\/qua.25225"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.71.267"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1039\/qr9702400069"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1021\/ja00260a006"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.5b00560"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1016\/0263-7855(96)00018-5"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRev.136.B864"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRev.140.A1133"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1021\/jp962071j"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1021\/ja00124a002"},{"key":"ref47\/cit47","unstructured":"Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Petersson, G. A.; Nakatsuji, H.; Li, X.; Caricato, M.; Marenich, A. V.; Bloino, J.; Janesko, B. G.; Gomperts, R.; Mennucci, B.; Hratchian, H. P.; Ortiz, J. V.; Izmaylov, A. F.; Sonnenberg, J. L.; Williams-Young, D.; Ding, F.; Lipparini, F.; Egidi, F.; Goings, J.; Peng, B.; Petrone, A.; Henderson, T.; Ranasinghe, D.; Zakrzewski, V. G.; Gao, J.; Rega, N.; Zheng, G.; Liang, W.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T.; Throssell, K.; Montgomery, J. A., Jr.; Peralta, J. E.; Ogliaro, F.; Bearpark, M. J.; Heyd, J. J.; Brothers, E. N.; Kudin, K. N.; Staroverov, V. N.; Keith, T. A.; Kobayashi, R.; Normand, J.; Raghavachari, K.; Rendell, A. P.; Burant, J. C.; Iyengar, S. S.; Tomasi, J.; Cossi, M.; Millam, J. M.; Klene, M.; Adamo, C.; Cammi, R.; Ochterski, J. W.; Martin, R. L.; Morokuma, K.; Farkas, O.; Foresman, J. B.; Fox, D. J. Gaussian Development Version, revision I.11; Gaussian, Inc.: Wallingford, CT, 2016."},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1039\/b810189b"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1007\/BF00549096"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1021\/bi3004632"},{"key":"ref51\/cit51","unstructured":"Case, D. A.; Cerutti, D. S.; Cheatham, T. E., III; Darden, T. A.; Duke, R. E.; Giese, T. J.; Gohlke, H.; Goetz, A. W.; Greene, D.; Homeyer, N.; Izadi, S.; Kovalenko, A.; Lee, T. S.; LeGrand, S.; Li, P.; Lin, C.; Liu, J.; Luchko, T.; Luo, R.; Mermelstein, D.; Merz, K. M.; Monard, G.; Nguyen, H.; Omelyan, I.; Onufriev, A.; Pan, F.; Qi, R.; Roe, D. R.; Roitberg, A.; Sagui, C.; Simmerling, C. L.; Botello-Smith, W. M.; Swails, J.; Walker, R.C.; Wang, J.; Wolf, R. M.; Wu, X.; Xiao, L.; York, D. M.; Kollman, P. A. AMBER 2017; University of California: San Francisco, 2017."},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1021\/cr00098a011"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1107\/S0567739476001551"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1021\/cb500897w"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201108130"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201702901"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1021\/bc500061s"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1038\/nchembio878"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1021\/ja804530w"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1002\/cbic.201500322"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1002\/cbic.201600359"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1021\/jm901137j"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1517\/17460441.2012.688743"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1021\/jm400828u"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevA.38.3098"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.37.785"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.2174\/1568026614666140202210016"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.8b00370","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,16]],"date-time":"2023-04-16T16:08:57Z","timestamp":1681661337000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.8b00370"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2018,8,30]]},"references-count":67,"journal-issue":{"issue":"9","published-print":{"date-parts":[[2018,9,24]]}},"alternative-id":["10.1021\/acs.jcim.8b00370"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.8b00370","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2018,8,30]]}}}