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Vladimir Chupakhin
Vladimir Chupakhin
DataChem, LLC
Dirección de correo verificada de datachem.io - Página principal
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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
2092018
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
1832017
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
542013
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
422017
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
382017
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
382015
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, 1-13, 2020
372020
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
362009
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
342014
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
262014
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
252013
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
212010
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
202018
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
182013
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
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
122013
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, ...
112018
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, ...
112017
Computer-aided design of selective ligands of the benzodiazepine-binding site of the GABAA receptor
VI Chupakhin, SV Bobrov, EV Radchenko, VA Palyulin, NS Zefirov
Doklady Chemistry 422, 227-230, 2008
102008
Development and implementation of an enterprise-wide predictive model for early absorption, distribution, metabolism and excretion properties
K Kumar, V Chupakhin, A Vos, D Morrison, D Rassokhin, MJ Dellwo, ...
Future Medicinal Chemistry 13 (19), 1639-1654, 2021
92021
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