{"id":42,"date":"2023-06-22T13:40:27","date_gmt":"2023-06-22T13:40:27","guid":{"rendered":"https:\/\/lab.chemsensim.fr\/?page_id=42"},"modified":"2025-01-25T15:30:22","modified_gmt":"2025-01-25T15:30:22","slug":"code","status":"publish","type":"page","link":"https:\/\/lab.chemsensim.fr\/index.php\/code\/","title":{"rendered":"Code"},"content":{"rendered":"
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Databases:<\/strong><\/p>\n\n\n\n

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M2OR<\/a><\/strong> (from M. Lalis, et al.<\/em> Nucleic. Acid. Res. 2024) A Database of Olfactory Receptor-Odorant Pairs for Understanding the Molecular Mechanisms of Olfaction<\/p>\n<\/div><\/div>\n\n\n\n

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SweetenersDB v2.0<\/a><\/strong> (from C. Bouysset et al.<\/em> Food Chem. 2020) a database of sweeteners with known sweetness values<\/p>\n\n\n\n

SweetenersDB v1.0<\/strong><\/a> (from J.B. Ch\u00e9ron et al.<\/em> Food Chem. 2016)<\/p>\n<\/div><\/div>\n\n\n\n

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Softwares and webservers:<\/strong><\/p>\n\n\n\n

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ProLIF<\/strong><\/a> (Protein-Ligand Interaction Fingerprints), a tool designed to generate interaction fingerprints for protein-ligand and protein-protein interactions extracted from molecular dynamics trajectories and docking simulations. It also supports DNA-ligand, DNA-protein and DNA-DNA interactions. (Github)<\/a><\/p>\n<\/div><\/div>\n\n\n\n

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Predisweet<\/a><\/strong>, a webserver for sweet taste prediction (webserver)<\/p>\n<\/div><\/div>\n\n\n\n

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Attract FF2G<\/a><\/strong> for protein-protein binding affinity prediction (webserver)<\/p>\n<\/div><\/div>\n\n\n\n

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Ptools <\/strong><\/a>source code (ptools_1.1.tar.gz released in 2015-03-15) including the following features:
\u2013 Attract forcefields FF1 and FF2 for proteins and nucleic acids
\u2013 Attract docking protocol and multidocking script for 3-body systems
\u2013 Analysis scripts (RMSd, iRMSd, fnat, clustering, \u2026)
\u2013 Prediction of protein interface based on electrostatic desolvation scoring<\/p>\n\n\n\n

Ptools\/Attract<\/strong><\/a>\u00a0(source and binaries)<\/a>: Original Protein-Protein Docking software<\/p>\n<\/div><\/div>\n","protected":false},"excerpt":{"rendered":"

\u200b____________________ Databases: M2OR (from M. Lalis, et al. Nucleic. Acid. Res. 2024) A Database of Olfactory Receptor-Odorant Pairs for Understanding the Molecular Mechanisms of Olfaction SweetenersDB v2.0 (from C. Bouysset et al. Food Chem. 2020) a database of sweeteners with known sweetness values SweetenersDB v1.0 (from J.B. Ch\u00e9ron et al. Food Chem. 2016) \u200b\u200b____________________ Softwares and webservers: ProLIF (Protein-Ligand Interaction Fingerprints), a tool designed … Read more<\/a><\/p>\n","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-42","page","type-page","status-publish"],"_links":{"self":[{"href":"https:\/\/lab.chemsensim.fr\/index.php\/wp-json\/wp\/v2\/pages\/42","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/lab.chemsensim.fr\/index.php\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/lab.chemsensim.fr\/index.php\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/lab.chemsensim.fr\/index.php\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/lab.chemsensim.fr\/index.php\/wp-json\/wp\/v2\/comments?post=42"}],"version-history":[{"count":18,"href":"https:\/\/lab.chemsensim.fr\/index.php\/wp-json\/wp\/v2\/pages\/42\/revisions"}],"predecessor-version":[{"id":690,"href":"https:\/\/lab.chemsensim.fr\/index.php\/wp-json\/wp\/v2\/pages\/42\/revisions\/690"}],"wp:attachment":[{"href":"https:\/\/lab.chemsensim.fr\/index.php\/wp-json\/wp\/v2\/media?parent=42"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}