{"id":3629,"date":"2024-05-13T08:58:39","date_gmt":"2024-05-13T15:58:39","guid":{"rendered":"https:\/\/molecularf.wpenginepowered.com\/mise-a-jour-du-patch-q1-2024\/"},"modified":"2026-09-18T17:55:16","modified_gmt":"2026-09-19T00:55:16","slug":"mise-a-jour-du-patch-q1-2024","status":"publish","type":"post","link":"https:\/\/molecularforecaster.com\/fr\/mise-a-jour-du-patch-q1-2024\/","title":{"rendered":"Mise \u00e0 jour du patch Q1 2024"},"content":{"rendered":"\n<div class=\"et_pb_section_0 et_pb_section et_section_regular et_block_section\"><div class=\"et_pb_row_0 et_pb_row et_block_row\"><div class=\"et_pb_column_0 et_pb_column et_pb_column_4_4 et-last-child et_block_column et_pb_css_mix_blend_mode_passthrough\"><div class=\"et_pb_text_0 et_pb_text et_pb_bg_layout_light et_pb_module et_block_module\"><div class=\"et_pb_text_inner\"><p>u003cpu003eu003cstrongu003eIMPACTS: u003c\/strongu003eu003c\/pu003enu003culu003enu003cliu003eAjout de quatre nouvelles isoformes CYP pour les pr\u00e9dictions SoM (2A6, 2B6, 2C8 et 2E1).u003c\/liu003enu003cliu003eUtilisation du facteur de correction SASA pour am\u00e9liorer l'attribution de l'\u00e9nergie d'activation.u003c\/liu003enu003c\/ulu003enu003cpu003eu003cstrongu003eSELECT:u003c\/strongu003eu003c\/pu003enu003culu003enu003cliu003eUtilisation de l'indice de Tversky en plus du coefficient de Tanimoto pour la recherche par similarit\u00e9.u003c\/liu003enu003c\/ulu003enu003cpu003eu003cstrongu003eCONVERT:u003c\/strongu003eu003c\/pu003enu003culu003enu003cliu003ePeut convertir 2D en 3D tout en conservant les hydrog\u00e8nes initiaux.u003c\/liu003enu003cliu003ePeut forcer la protonation\/d\u00e9protonation et peut sp\u00e9cifier l'\u00e9tat de protonation maximal pour une mol\u00e9cule donn\u00e9e.u003c\/liu003enu003c\/ulu003enu003cpu003eu003cstrongu003eREACT2D :u003c\/strongu003eu003c\/pu003enu003culu003enu003cliu003eNouveaux groupes aromatiques reconnus par React2D\/Finders.u003c\/liu003enu003cliu003eAm\u00e9lioration de l'attribution de la st\u00e9r\u00e9ochimie dans les cas difficiles.u003c\/liu003enu003c\/ulu003enu003cpu003eu003cstrongu003ePREPARE:u003c\/strongu003eu003c\/pu003enu003culu003enu003cliu003eAffectation d'un nom de cha\u00eene en cas d'absence dans le fichier PDB.u003c\/liu003enu003cliu003eUn ligand peut \u00eatre fourni pour identifier le site de liaison (et maintenir les mol\u00e9cules d'eau \u00e0 proximit\u00e9).u003c\/liu003enu003c\/ulu003enu003cpu003eu003cstrongu003eAm\u00e9liorations g\u00e9n\u00e9rales : u003c\/strongu003eu003c\/pu003enu003cpu003eu003cstrongu003eu003c\/strongu003eu003c\/pu003enu003culu003enu003cliu003eCorrection de plusieurs bogues.u003c\/liu003enu003cliu003eChangements de design et optimisation de la pr\u00e9sentation des fichiers de sortie.u003c\/liu003enu003c\/ulu003e<\/p>\n<\/div><\/div><\/div><\/div><\/div>\n","protected":false},"excerpt":{"rendered":"","protected":false},"author":4,"featured_media":3626,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[19,18],"tags":[],"class_list":["post-3629","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-actualites","category-mises-a-jour-des-correctifs"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v28.5 - 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