7th French-Japanese Workshop on Computational Methods in Chemistry2 July – 3 July 2018, Strasbourg, France – Laboratoire de Chémoinformatique

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List of posters

	Author	Title
1	Hitoshi GOTO	Development of Organometallic Force Field for Soft Crystal
2	Yuta HORI	Theoretical study for methane oxidation by dicopper complex
3	Francois BERENGER	Combining a bisector tree with the Tanimoto distance for similarity searches and beyond
4	Masashi SAITO	Theoretical study on methane activation on binary alloys : An informatics approach to catalyst design
5	Yoshihiro YAMANISHI	Predicting drug side-effect profiles from the integration of chemical and biological spaces
6	Killian DEUR	State-averaged multiconfigurational density-functional theory based on ensembles and range separation
7	Bruno SENJEAN	New Alternative Embedding Method applied on Model Hamiltonian
8	Marta GLAVATSKIKH	Modeling of complex reaction data : the case of tautomeric equilibria
9	Yuliana ZABOLOTNA	Generative Topographic Mapping in Virtual Screening : why ensemble of maps is needed ?
10	Timur GIMADIEV	Reaction data treatment by means of Condensed graph of reaction
11	Priscila da S. F. C. GOMES	Rescoring docking poses by graph matching of protein–ligand interactions : lessons learned from the D3R Grand Challenges
12	Célien JACQUEMARD	Fragment docking : Pose selection by consensus references binding mode
13	Florian KOENSGEN	Fragment docking : Pose selection by consensus references binding mode
14	Boris SATTAROV	Deep Learning and Generative Topographic Mapping tandem in de novo design of biologically active compounds
15	Filippo LUNGHINI, Philippe GANTZER	New QSAR Models Concerning (Eco)Toxicological Endpoints : Acute toxicity, Bioaccumulation and Biodegradability
16	Viet-Khoa TRAN-NGUYEN	Generation and virtual screening of protein-based cavity pharmacophores : A prospective study
17	Guillaume PAGES	Analytical Symmetry in Large Macromolecular Assemblies
18	Maria KADUKOVA	Knowledge-based prediction of protein-ligand interactions
19	Djamila BOUGHENAYA	Computational study of Nuclear Receptor PPARγ : implications of pathological mutations on the structural dynamics
20	Bruno SIMÕES DE ALMEIDA	Analysis of the Structural Dynamics of the Androgen Receptor Ligand-Binding Domain

Laboratoire de Chémoinformatique – UMR 7140 CNRS

7th French-Japanese Workshop on Computational Methods in Chemistry
2 July – 3 July 2018, Strasbourg, France

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