Ionotropic GABA receptors: modelling and design of selective ligands. - Vladimir A. Palyulin; Eugene V. Radchenko; Dmitry I. Osolodkin; Vladimir I. Chupakhin; Nikolai S. Zefirov (J. Cheminformatics, 2010)

Predicting Ligand Binding Modes from Neural Networks Trained on Protein-Ligand Interaction Fingerprints. - Vladimir I. Chupakhin; Gilles Marcou; Igor I. Baskin; Alexandre Varnek; Didier Rognan (J. Chem. Inf. Model., 2013)

HyperLoom Possibilities for Executing Scientific Workflows on the Cloud. - Vojtech Cima; Stanislav Böhm; Jan Martinovic; Jiri Dvorský; Thomas J. Ashby; Vladimir I. Chupakhin (CISIS, 2017)

Macau: Scalable Bayesian factorization with high-dimensional side information using MCMC. - Jaak Simm; Adam Arany; Pooya Zakeri; Tom Haber; Jörg K. Wegner; Vladimir I. Chupakhin; Hugo Ceulemans; Yves Moreau (MLSP, 2017)

ExCAPE-DB: an integrated large scale dataset facilitating Big Data analysis in chemogenomics. - Jiangming Sun; Nina Jeliazkova; Vladimir I. Chupakhin; José Felipe Golib Dzib; Ola Engkvist; Lars Carlsson; Jörg K. Wegner; Hugo Ceulemans; Ivan Georgiev; Vedrin Jeliazkov; Nikolay T. Kochev; Thomas J. Ashby; et al. (J. Cheminformatics, 2017)

Erratum to: ExCAPE-DB: an integrated large scale dataset facilitating Big Data analysis in chemogenomics. - Jiangming Sun; Nina Jeliazkova; Vladimir I. Chupakhin; José Felipe Golib Dzib; Ola Engkvist; Lars Carlsson; Jörg K. Wegner; Hugo Ceulemans; Ivan Georgiev; Vedrin Jeliazkov; Nikolay T. Kochev; Thomas J. Ashby; et al. (J. Cheminformatics, 2017)

HyperLoom: A Platform for Defining and Executing Scientific Pipelines in Distributed Environments. - Vojtech Cima; Stanislav Böhm; Jan Martinovic; Jiri Dvorský; Katerina Janurová; Tom Vander Aa; Thomas J. Ashby; Vladimir I. Chupakhin (PARMA-DITAM@HiPEAC, 2018)

SMURFF: A High-Performance Framework for Matrix Factorization Methods. - Tom Vander Aa; Imen Chakroun; Tom Ashby; Jaak Simm; Adam Arany; Yves Moreau; Thanh Le Van; José Felipe Golib Dzib; Jörg K. Wegner; Vladimir I. Chupakhin; Hugo Ceulemans; Roel Wuyts; et al. (BNAIC/BENELEARN, 2019)

ExCAPE-DB: An Integrated Large Scale Dataset Facilitating Big Data Analysis in Chemogenomics. - Jiangming Sun; Nina Jeliazkova; Vladimir I. Chupakhin; José Felipe Golib Dzib; Lars Carlsson; Jörg K. Wegner; Hugo Ceulemans; Ivan Georgiev; Vedrin Jeliazkov; Nikolay T. Kochev; Thomas J. Ashby; Hongming Chen 001 (BNAIC/BENELEARN, 2019)

Industry-scale application and evaluation of deep learning for drug target prediction. - Noé Sturm; Andreas Mayr; Thanh Le Van; Vladimir I. Chupakhin; Hugo Ceulemans; Jörg K. Wegner; José Felipe Golib Dzib; Nina Jeliazkova; Yves Vandriessche; Stanislav Böhm; Vojtech Cima; Jan Martinovic; et al. (J. Cheminformatics, 2020)