{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,8]],"date-time":"2026-07-08T05:05:22Z","timestamp":1783487122642,"version":"3.55.0"},"reference-count":30,"publisher":"American Chemical Society (ACS)","issue":"18","license":[{"start":{"date-parts":[[2022,9,7]],"date-time":"2022-09-07T00:00:00Z","timestamp":1662508800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2022,9,7]],"date-time":"2022-09-07T00:00:00Z","timestamp":1662508800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2022,9,7]],"date-time":"2022-09-07T00:00:00Z","timestamp":1662508800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100001691","name":"Japan Society for the Promotion of Science","doi-asserted-by":"publisher","award":["21H00381"],"award-info":[{"award-number":["21H00381"]}],"id":[{"id":"10.13039\/501100001691","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001691","name":"Japan Society for the Promotion of Science","doi-asserted-by":"publisher","award":["21K06107"],"award-info":[{"award-number":["21K06107"]}],"id":[{"id":"10.13039\/501100001691","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2022,9,26]]},"DOI":"10.1021\/acs.jcim.2c00987","type":"journal-article","created":{"date-parts":[[2022,9,7]],"date-time":"2022-09-07T02:44:23Z","timestamp":1662518663000},"page":"4460-4473","source":"Crossref","is-referenced-by-count":10,"title":["gr Predictor: A Deep Learning Model for Predicting the Hydration Structures around Proteins"],"prefix":"10.1021","volume":"62","author":[{"given":"Kosuke","family":"Kawama","sequence":"first","affiliation":[{"name":"Department of Applied Physics, Graduate School of Engineering, Tohoku University, Sendai 980-8579, Japan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yusaku","family":"Fukushima","sequence":"additional","affiliation":[{"name":"Department of Applied Physics, Graduate School of Engineering, Tohoku University, Sendai 980-8579, Japan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3199-6931","authenticated-orcid":true,"given":"Mitsunori","family":"Ikeguchi","sequence":"additional","affiliation":[{"name":"AI-Driven Drug Discovery Collaborative Unit, HPC- and AI-Driven Drug Development Platform Division, Center for Computational Science, RIKEN, 1-7-29, Suehiro-cho, Tsurumi-ku, Yokohama 230-0045, Japan"},{"name":"Graduate School of Medical Life Science, Yokohama City University, 1-7-29, Suehiro-cho, Tsurumi-ku, Yokohama 230-0045, Japan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6580-7185","authenticated-orcid":true,"given":"Masateru","family":"Ohta","sequence":"additional","affiliation":[{"name":"AI-Driven Drug Discovery Collaborative Unit, HPC- and AI-Driven Drug Development Platform Division, Center for Computational Science, RIKEN, 1-7-29, Suehiro-cho, Tsurumi-ku, Yokohama 230-0045, Japan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7407-1942","authenticated-orcid":true,"given":"Takashi","family":"Yoshidome","sequence":"additional","affiliation":[{"name":"Department of Applied Physics, Graduate School of Engineering, Tohoku University, Sendai 980-8579, Japan"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2022,9,7]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1016\/s1074-5521(96)90164-7"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1007\/s12551-013-0100-8"},{"key":"ref3\/cit3","volume-title":"Molecular Theory of Solvation","author":"Hirata F.","year":"2003"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1038\/s42004-020-0261-x"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1021\/ja054434b"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1063\/1.1748352"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1016\/j.cplett.2004.06.140"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1021\/jp045667c"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.26406"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.1c01975"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1021\/jm030580l"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1021\/jm048957q"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1021\/ci9000053"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1021\/ci500080q"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btu626"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1021\/acs.accounts.6b00491"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00255"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1021\/ct900460m"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1063\/1.478883"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.7b00650"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1007\/978-3-319-24574-4_28"},{"key":"ref22\/cit22","doi-asserted-by":"crossref","unstructured":"Isola, P.; Zhu, J. Y.; Zhou, T.; Efros, A. A. Image-to-Image Translation with Conditional Adversarial Networks. 2017, arXiv:1611.07004.","DOI":"10.1109\/CVPR.2017.632"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.22984"},{"key":"ref24\/cit24","unstructured":"Case, D. A.; Ben-Shalom, I. Y.; Brozell, S. R.; Cerutti, D. S.; Cheatham, T. E., III; Cruzeiro, V. W. D.; Darden, T. A.; Duke, R. E.; Ghoreishi, D.; Gilson, M. K.; Gohlke, H.; Goetz, A. W.; Greene, D.; Harris, R.; Homeyer, N.; Izadi, S.; Kovalenko, A.; Kurtzman, T.; Lee, T. S.; LeGrand, S.; Li, P.; Lin, C.; Liu, J.; Luchko, T.; Luo, R.; Mermelstein, D. J.; Merz, K. M.; Miao, Y.; Monard, G.; Nguyen, C.; Nguyen, H.; Omelyan, I.; Onufriev, A.; Pan, F.; Qi, R.; Roe, D. R.; Roitberg, A.; Sagui, C.; Schott-Verdugo, S.; Shen, J.; Simmerling, C. L.; Smith, J.; Salomon-Ferrer, R.; Swails, J.; Walker, R. C.; Wang, J.; Wei, H.; Wolf, R. M.; Wu, X.; Xiao, L.; York, D. M.; Kollman, P. A.\n                      AMBER\n                      ; University of California: San Francisco, 2018."},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1063\/1.463485"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1038\/s42004-020-00435-5"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1021\/ct300355r"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1088\/1361-648x\/aad076"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.7b00389"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1080\/00268978500101591"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.2c00987","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.2c00987","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,27]],"date-time":"2023-04-27T01:04:01Z","timestamp":1682557441000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.2c00987"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2022,9,7]]},"references-count":30,"journal-issue":{"issue":"18","published-print":{"date-parts":[[2022,9,26]]}},"alternative-id":["10.1021\/acs.jcim.2c00987"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.2c00987","relation":{"has-preprint":[{"id-type":"doi","id":"10.1101\/2022.04.18.488616","asserted-by":"object"}]},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2022,9,7]]}}}