Generative Topographic Mapping of the Docking Conformational Space

by Dragos Horvath, Gilles Marcou, Alexandre Varnek
Published 2019-06-01

Simple Ligand–Receptor Interaction Descriptor (SILIRID) for alignment-free binding site comparison

by Vladimir Chupakhin, Gilles Marcou, Helena Gaspar, Alexandre Varnek
Published 2014-06-01

An Evolutionary Optimizer of libsvm Models

by Dragos Horvath, J. B. Brown, Gilles Marcou, Alexandre Varnek
Published 2014-11-01

S4MPLE—Sampler for Multiple Protein-Ligand Entities: Methodology and Rigid-Site Docking Benchmarking

by Laurent Hoffer, Camelia Chira, Gilles Marcou, Alexandre Varnek, Dragos Horvath
Published 2015-05-01

DMSO Solubility Assessment for Fragment-Based Screening

by Shamkhal Baybekov, Gilles Marcou, Pascal Ramos, Olivier Saurel, Jean-Luc Galzi, Alexandre Varnek
Published 2021-06-01

Discovery of novel chemical reactions by deep generative recurrent neural network

by William Bort, Igor I. Baskin, Timur Gimadiev, Artem Mukanov, Ramil Nugmanov, Pavel Sidorov, Gilles Marcou, Dragos Horvath, Olga Klimchuk, Timur Madzhidov, Alexandre Varnek
Published 2021-02-01

In Silico Mining for Antimalarial Structure-Activity Knowledge and Discovery of Novel Antimalarial Curcuminoids

by Birgit Viira, Thibault Gendron, Don Antoine Lanfranchi, Sandrine Cojean, Dragos Horvath, Gilles Marcou, Alexandre Varnek, Louis Maes, Uko Maran, Philippe M. Loiseau, Elisabeth Davioud-Charvet
Published 2016-06-01