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Vladimir Chupakhin

Showing results (1-10 of 10) with videos related to

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Journal of Chemical Information and Modeling|December 11, 2025
Descriptor-First Approach for ADMET Prediction in the PolarisHub Antiviral ChallengeVladimir Chupakhin, John DiBella
Computational and Structural Biotechnology Journal|September 12, 2014
Simple Ligand-Receptor Interaction Descriptor (SILIRID) for alignment-free binding site comparisonVladimir Chupakhin, Gilles Marcou, Helena Gaspar, et al.
Journal of Chemical Information and Modeling|March 14, 2013
Predicting ligand binding modes from neural networks trained on protein-ligand interaction fingerprintsVladimir Chupakhin, Gilles Marcou, Igor Baskin, et al.
Archives of Biochemistry and Biophysics|January 29, 2013
Determination of binding points of methylene blue and cationic phenoxazine dyes on human butyrylcholinesteraseZeynep Sezgin, Kevser Biberoglu, Vladimir Chupakhin, et al.
Future Medicinal Chemistry|September 16, 2021
Development and implementation of an enterprise-wide predictive model for early absorption, distribution, metabolism and excretion propertiesKiran Kumar, Vladimir Chupakhin, Ann Vos, et al.
Cell Chemical Biology|March 6, 2018
Repurposing High-Throughput Image Assays Enables Biological Activity Prediction for Drug DiscoveryJaak Simm, Günter Klambauer, Adam Arany, et al.
Journal of Cheminformatics|January 12, 2021
Industry-scale application and evaluation of deep learning for drug target predictionNoé Sturm, Andreas Mayr, Thanh Le Van, et al.
Chemical Research in Toxicology|May 15, 2025
Consensus Modeling Strategies for Predicting Transthyretin Binding Affinity from Tox24 Challenge DataThalita Cirino, Luis Pinto, Mateusz Iwan, et al.
Journal of Medicinal Chemistry|January 21, 2017
Discovery of N-(Pyridin-4-yl)-1,5-naphthyridin-2-amines as Potential Tau Pathology PET Tracers for Alzheimer's DiseaseFrederik J R Rombouts, José-Ignacio Andrés, Manuela Ariza, et al.
Journal of Chemical Information and Modeling|February 26, 2026
A Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery DataHugo MacDermott-Opeskin, Jenke Scheen, Cas Wognum, et al.
Pageof 1

Showing results (1-10 of 10) with videos related to

Sort By:
Pageof 1
Journal of Chemical Information and Modeling|December 11, 2025
Descriptor-First Approach for ADMET Prediction in the PolarisHub Antiviral ChallengeVladimir Chupakhin, John DiBella
Computational and Structural Biotechnology Journal|September 12, 2014
Simple Ligand-Receptor Interaction Descriptor (SILIRID) for alignment-free binding site comparisonVladimir Chupakhin, Gilles Marcou, Helena Gaspar, et al.
Journal of Chemical Information and Modeling|March 14, 2013
Predicting ligand binding modes from neural networks trained on protein-ligand interaction fingerprintsVladimir Chupakhin, Gilles Marcou, Igor Baskin, et al.
Archives of Biochemistry and Biophysics|January 29, 2013
Determination of binding points of methylene blue and cationic phenoxazine dyes on human butyrylcholinesteraseZeynep Sezgin, Kevser Biberoglu, Vladimir Chupakhin, et al.
Future Medicinal Chemistry|September 16, 2021
Development and implementation of an enterprise-wide predictive model for early absorption, distribution, metabolism and excretion propertiesKiran Kumar, Vladimir Chupakhin, Ann Vos, et al.
Cell Chemical Biology|March 6, 2018
Repurposing High-Throughput Image Assays Enables Biological Activity Prediction for Drug DiscoveryJaak Simm, Günter Klambauer, Adam Arany, et al.
Journal of Cheminformatics|January 12, 2021
Industry-scale application and evaluation of deep learning for drug target predictionNoé Sturm, Andreas Mayr, Thanh Le Van, et al.
Chemical Research in Toxicology|May 15, 2025
Consensus Modeling Strategies for Predicting Transthyretin Binding Affinity from Tox24 Challenge DataThalita Cirino, Luis Pinto, Mateusz Iwan, et al.
Journal of Medicinal Chemistry|January 21, 2017
Discovery of N-(Pyridin-4-yl)-1,5-naphthyridin-2-amines as Potential Tau Pathology PET Tracers for Alzheimer's DiseaseFrederik J R Rombouts, José-Ignacio Andrés, Manuela Ariza, et al.
Journal of Chemical Information and Modeling|February 26, 2026
A Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery DataHugo MacDermott-Opeskin, Jenke Scheen, Cas Wognum, et al.
Pageof 1