Vladimir Chupakhin
Vladimir Chupakhin
Cellarity
Verified email at cellarity.com - Homepage
Title
Cited by
Cited by
Year
Repurposing high-throughput image assays enables biological activity prediction for drug discovery
J Simm, G Klambauer, A Arany, M Steijaert, JK Wegner, E Gustin, ...
Cell chemical biology 25 (5), 611-618. e3, 2018
1212018
ExCAPE-DB: an integrated large scale dataset facilitating Big Data analysis in chemogenomics
J Sun, N Jeliazkova, V Chupakhin, JF Golib-Dzib, O Engkvist, L Carlsson, ...
Journal of Cheminformatics 9 (1), 17, 2017
922017
Predicting ligand binding modes from neural networks trained on protein–ligand interaction fingerprints
V Chupakhin, G Marcou, I Baskin, A Varnek, D Rognan
Journal of chemical information and modeling 53 (4), 763-772, 2013
422013
Molecular modeling of ligand–receptor interactions in GABAC receptor
DI Osolodkin, VI Chupakhin, VA Palyulin, NS Zefirov
Journal of Molecular Graphics and Modelling 27 (7), 813-821, 2009
352009
Macau: Scalable Bayesian factorization with high-dimensional side information using MCMC
J Simm, A Arany, P Zakeri, T Haber, JK Wegner, V Chupakhin, ...
2017 IEEE 27th International Workshop on Machine Learning for Signal …, 2017
332017
Macau: scalable bayesian multi-relational factorization with side information using MCMC
J Simm, A Arany, P Zakeri, T Haber, JK Wegner, V Chupakhin, ...
arXiv preprint arXiv:1509.04610, 2015
282015
Discovery of N-(Pyridin-4-yl)-1,5-naphthyridin-2-amines as Potential Tau Pathology PET Tracers for Alzheimer’s Disease
FJR Rombouts, JI Andrés, M Ariza, JM Alonso, N Austin, A Bottelbergs, ...
Journal of medicinal chemistry 60 (4), 1272-1291, 2017
212017
Simple Ligand–Receptor Interaction Descriptor (SILIRID) for alignment-free binding site comparison
V Chupakhin, G Marcou, H Gaspar, A Varnek
Computational and structural biotechnology journal 10 (16), 33-37, 2014
192014
Synthesis of novel bridged dinitrogen heterocycles and their evaluation as potential fragments for the design of biologically active compounds
KV Kudryavtsev, DA Shulga, VI Chupakhin, EI Sinauridze, ...
Tetrahedron 70 (43), 7854-7864, 2014
172014
Synthesis of PDE IV inhibitors. First asymmetric synthesis of two of GlaxoSmithKline's highly potent Rolipram analogues
PA Zhmurov, AY Sukhorukov, VI Chupakhin, YV Khomutova, SL Ioffe, ...
Organic & biomolecular chemistry 11 (46), 8082-8091, 2013
172013
Design, synthesis and biotest of a bicyclo[3.3.1]nonane analogue of 2-amino-5,6-dihydro-4H-1,3-thiazine
ON Zefirova, EV Nurieva, VI Chupakhin, IS Semenova, DI Peregud, ...
Mendeleev Communications 20 (6), 323-325, 2010
172010
Modeling the open and closed forms of GABAA receptor: analysis of ligand-receptor interactions for the GABA-binding site
VI Chupakhin, VA Palyulin, NS Zefirov
Doklady. Biochemistry and biophysics 408 (1), 169, 2006
172006
Hyperloom: A platform for defining and executing scientific pipelines in distributed environments
V Cima, S Böhm, J Martinovič, J Dvorský, K Janurová, TV Aa, TJ Ashby, ...
Proceedings of the 9th Workshop and 7th Workshop on Parallel Programming and …, 2018
162018
Asymmetric synthesis and molecular docking study of enantiomerically pure pyrrolidine derivatives with potential antithrombin activity
S Ayan, Ö Dogan, PM Ivantcova, NG Datsuk, DA Shulga, VI Chupakhin, ...
Tetrahedron: Asymmetry 24 (13-14), 838-843, 2013
152013
Industry-scale application and evaluation of deep learning for drug target prediction
N Sturm, A Mayr, T Le Van, V Chupakhin, H Ceulemans, J Wegner, ...
Journal of Cheminformatics 12 (1), 1-13, 2020
142020
Determination of binding points of methylene blue and cationic phenoxazine dyes on human butyrylcholinesterase
Z Sezgin, K Biberoglu, V Chupakhin, GF Makhaeva, O Tacal
Archives of biochemistry and biophysics 532 (1), 32-38, 2013
92013
Computer-aided design of selective ligands of the benzodiazepine-binding site of the GABA A receptor
VI Chupakhin, SV Bobrov, EV Radchenko, VA Palyulin, NS Zefirov
Doklady Chemistry 422 (1), 227-230, 2008
92008
Modeling and analysis of ligand-receptor interactions in the GABA C receptor
DI Osolodkin, VI Chupakhin, VA Palyulin, NS Zefirov
Doklady Biochemistry and Biophysics 412 (1), 25-28, 2007
92007
ExCAPE-DB: an integrated large scale dataset facilitating Big Data analysis in chemogenomics. J Cheminform 9: 17
J Sun, N Jeliazkova, V Chupakhin, JF Golib-Dzib, O Engkvist, L Carlsson
82017
Repurposing high-throughput image assays enables biological activity prediction for drug discovery. Cell Chem Biol 25: 611–618. e3
J Simm, G Klambauer, A Arany, M Steijaert, JK Wegner, E Gustin, ...
72018
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