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Phys."],"abstract":"<p>\n                    In this computational study we determined that the binding of diazepam and flumazenil to \u03b1\n                    <sub>1<\/sub>\n                    \u03b2\n                    <sub>2<\/sub>\n                    \u03b3\n                    <sub>2<\/sub>\n                    GABA\n                    <sub>A<\/sub>\n                    receptors is sensitive to \u03b1\n                    <sub>1<\/sub>\n                    His102 protonation and rotameric state.\n                  <\/p>","DOI":"10.1039\/d0cp05081d","type":"journal-article","created":{"date-parts":[[2021,1,25]],"date-time":"2021-01-25T11:30:17Z","timestamp":1611574217000},"page":"3993-4006","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["How does \u03b1\n                    <sub>1<\/sub>\n                    Histidine102 affect the binding of modulators to \u03b1\n                    <sub>1<\/sub>\n                    \u03b2\n                    <sub>2<\/sub>\n                    \u03b3\n                    <sub>2<\/sub>\n                    GABA\n                    <sub>A<\/sub>\n                    receptors? molecular insights from\n                    <i>in silico<\/i>\n                    experiments"],"prefix":"10.1039","volume":"23","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-0980-5775","authenticated-orcid":false,"given":"Mar\u00eda Julia","family":"Amundarain","sequence":"first","affiliation":[{"name":"Instituto de F\u00edsica del Sur (IFISUR)"},{"name":"Departamento de F\u00edsica"},{"name":"Universidad Nacional del Sur (UNS)"},{"name":"CONICET"},{"name":"B8000CPB \u2013 Bah\u00eda Blanca"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8353-3034","authenticated-orcid":false,"given":"Ernesto Ra\u00fal","family":"Caffarena","sequence":"additional","affiliation":[{"name":"Programa de Computa\u00e7\u00e3o Cient\u00edfica \u2013 PROCC"},{"name":"Funda\u00e7\u00e3o Oswaldo Cruz"},{"name":"Manguinhos"},{"name":"CEP 21040-360"},{"name":"Rio de Janeiro"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8969-7208","authenticated-orcid":false,"given":"Marcelo Daniel","family":"Costabel","sequence":"additional","affiliation":[{"name":"Instituto de F\u00edsica del Sur (IFISUR)"},{"name":"Departamento de F\u00edsica"},{"name":"Universidad Nacional del Sur (UNS)"},{"name":"CONICET"},{"name":"B8000CPB \u2013 Bah\u00eda Blanca"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2021]]},"reference":[{"issue":"2","key":"D0CP05081D-(cit1)\/*[position()=1]","first-page":"291","volume":"50","author":"Barnard","year":"1998","journal-title":"Pharmacol. 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