An exploration of the 3D chemical space has highlighted a specific shape profile for the compounds intended to inhibit protein-protein interactions

BMC Bioinformatics

Meeting Abstract

Mélaine A Kuenemann¹  Laura ML Bourbon¹  Olivier Sperandio²  Céline M Labbé²  Bruno O Villoutreix² 

[1] Université Paris Diderot, Sorbonne Paris Cité, UMRS 973 Inserm, 75013, Paris, France;Inserm, U973, 75013, Paris, France;Université Paris Diderot, Sorbonne Paris Cité, UMRS 973 Inserm, 75013, Paris, France;Inserm, U973, 75013, Paris, France;CDithem, Faculté de Pharmacie, 1 rue du Prof Laguesse, 59000, Lille, France;

关键词: Chemical Space;    Shape Profile;    Hydrophobic Patch;    Discovery Project;    Representative Subset;   

DOI  :  10.1186/1471-2105-16-S3-A5

来源: Springer

【 授权许可】

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© Kuenemann et al.; licensee BioMed Central Ltd. 2015. This article is published under license to BioMed Central Ltd. This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. The Creative Commons Public Domain Dedication waiver (http://creativecommons.org/publicdomain/zero/1.0/) applies to the data made available in this article, unless otherwise stated.