M
Michel Petitjean
Researcher at University of Paris
Publications - 80
Citations - 1605
Michel Petitjean is an academic researcher from University of Paris. The author has contributed to research in topics: Druggability & Euclidean space. The author has an hindex of 17, co-authored 79 publications receiving 1369 citations. Previous affiliations of Michel Petitjean include Centre national de la recherche scientifique & French Institute of Health and Medical Research.
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Molecular similarity and diversity in chemoinformatics: from theory to applications.
TL;DR: The approaches used to define and descript the concepts of molecular similarity and diversity in the context of chemoinformatics are discussed and the descriptions and analyses of different methods and techniques are introduced.
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Applications of the radius-diameter diagram to the classification of topological and geometrical shapes of chemical compounds
TL;DR: The graph-theoretical bivariate repartition of the (R,D) pairs, named here the "radius4iameter diagram", has been computed for members of a large file of compounds derived from the Chemical Abstracts Services Registry File and suggests that organic chemistry had evolved in only a few specialized directions.
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PockDrug-Server: a new web server for predicting pocket druggability on holo and apo proteins
Hiba Abi Hussein,Alexandre Borrel,Colette Geneix,Michel Petitjean,Leslie Regad,Anne-Claude Camproux +5 more
TL;DR: PockDrug-Server is proposed to predict pocket druggability, efficient on both estimated pockets guided by the ligand proximity and estimated pockets based solely on protein structure information, thus efficient using apo pockets that are challenging to estimate.
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Chirality and Symmetry Measures: A Transdisciplinary Review
TL;DR: Relations between chirality, symmetry, and other concepts such as similarity, disorder and entropy, are discussed.
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CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity.
Kamel Mansouri,Nicole Kleinstreuer,Ahmed Abdelaziz,Domenico Alberga,Vinicius M. Alves,Vinicius M. Alves,Patrik L. Andersson,Carolina Horta Andrade,Fang Bai,Ilya A. Balabin,Davide Ballabio,Emilio Benfenati,Barun Bhhatarai,Scott Boyer,Jingwen Chen,Viviana Consonni,Sherif Farag,Denis Fourches,Alfonso T. García-Sosa,Paola Gramatica,Francesca Grisoni,Christopher M. Grulke,Huixiao Hong,Dragos Horvath,Xin Hu,Ruili Huang,Nina Jeliazkova,Jiazhong Li,Xuehua Li,Huanxiang Liu,Serena Manganelli,Giuseppe Felice Mangiatordi,Uko Maran,Gilles Marcou,Todd M. Martin,Eugene N. Muratov,Dac-Trung Nguyen,Orazio Nicolotti,Nikolai Georgiev Nikolov,Ulf Norinder,Ester Papa,Michel Petitjean,Geven Piir,Pavel V. Pogodin,Vladimir Poroikov,Xianliang Qiao,Ann M. Richard,Alessandra Roncaglioni,Patricia Ruiz,Chetan Rupakheti,Chetan Rupakheti,Sugunadevi Sakkiah,Alessandro Sangion,Karl-Werner Schramm,Chandrabose Selvaraj,Imran Shah,Sulev Sild,Lixia Sun,Olivier Taboureau,Yun Tang,Igor V. Tetko,Roberto Todeschini,Weida Tong,Daniela Trisciuzzi,Alexander Tropsha,George Van Den Driessche,Alexandre Varnek,Zhongyu Wang,Eva Bay Wedebye,Antony J. Williams,Hongbin Xie,Alexey V. Zakharov,Ziye Zheng,Richard S. Judson +73 more
TL;DR: The Collaborative Modeling Project for Androgen Receptor Activity (CoMPARA) efforts are described, which follows the steps of the Collaborative Estrogen Recept Activity Prediction Project (CERAPP).