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Journal of Medicinal Chemistry
|
August 18, 2006
Insights for human ether-a-go-go-related gene potassium channel inhibition using recursive partitioning and Kohonen and Sammon mapping techniques
Sean Ekins, Konstantin V Balakin, Nikolay Savchuk, et al.
Molecular Diversity
|
March 26, 2026
Integrating modern computational techniques elevates binding mode identification for molecular fragments
Sergei Evteev, Fedor Sizov, Anna Pastukhova, et al.
Molecular Pharmaceutics
|
March 24, 2018
Adversarial Threshold Neural Computer for Molecular de Novo Design
Evgeny Putin, Arip Asadulaev, Quentin Vanhaelen, et al.
Chemical Research in Toxicology
|
May 9, 2008
Shape signatures: new descriptors for predicting cardiotoxicity in silico
Dmitriy S Chekmarev, Vladyslav Kholodovych, Konstantin V Balakin, et al.
Journal of Chemical Information and Modeling
|
May 16, 2018
Reinforced Adversarial Neural Computer for de Novo Molecular Design
Evgeny Putin, Arip Asadulaev, Yan Ivanenkov, et al.
Proteins
|
February 28, 2025
Skittles: GNN-Assisted Pseudo-Ligands Generation and Its Application for Binding Sites Classification and Affinity Prediction
Sergei Evteev, Alexey Ereshchenko, Denis Adjugim, et al.
Journal of Alzheimer'S Disease : JAD
|
May 28, 2017
AVN-492, A Novel Highly Selective 5-HT6R Antagonist: Preclinical Evaluation
Alexandre V Ivachtchenko, Ilya Okun, Vladimir Aladinskiy, et al.
Methods in Molecular Biology (Clifton, N.J.)
|
May 31, 2018
Method for Ultrarapid High-Content Screening for Biologically Active Chemicals Using Plant Pollen
Roman Chuprov-Netochin, Elena Marusich, Yaroslav Neskorodov, et al.
Molecular Pharmaceutics
|
September 6, 2018
Entangled Conditional Adversarial Autoencoder for de Novo Drug Discovery
Daniil Polykovskiy, Alexander Zhebrak, Dmitry Vetrov, et al.
Journal of Computer-Aided Molecular Design
|
September 26, 2025
Enhancing accuracy of virtual kinase profiling via application of graph neural network to 3D pharmacophore ensembles
Alexey Ereshchenko, Sergei Evteev, Alexander Malyshev, et al.
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Search research articles
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Showing results (1-10 of 18) with videos related to
Sort By:
Page
of 2
Journal of Medicinal Chemistry
|
August 18, 2006
Insights for human ether-a-go-go-related gene potassium channel inhibition using recursive partitioning and Kohonen and Sammon mapping techniques
Sean Ekins, Konstantin V Balakin, Nikolay Savchuk, et al.
Molecular Diversity
|
March 26, 2026
Integrating modern computational techniques elevates binding mode identification for molecular fragments
Sergei Evteev, Fedor Sizov, Anna Pastukhova, et al.
Molecular Pharmaceutics
|
March 24, 2018
Adversarial Threshold Neural Computer for Molecular de Novo Design
Evgeny Putin, Arip Asadulaev, Quentin Vanhaelen, et al.
Chemical Research in Toxicology
|
May 9, 2008
Shape signatures: new descriptors for predicting cardiotoxicity in silico
Dmitriy S Chekmarev, Vladyslav Kholodovych, Konstantin V Balakin, et al.
Journal of Chemical Information and Modeling
|
May 16, 2018
Reinforced Adversarial Neural Computer for de Novo Molecular Design
Evgeny Putin, Arip Asadulaev, Yan Ivanenkov, et al.
Proteins
|
February 28, 2025
Skittles: GNN-Assisted Pseudo-Ligands Generation and Its Application for Binding Sites Classification and Affinity Prediction
Sergei Evteev, Alexey Ereshchenko, Denis Adjugim, et al.
Journal of Alzheimer'S Disease : JAD
|
May 28, 2017
AVN-492, A Novel Highly Selective 5-HT6R Antagonist: Preclinical Evaluation
Alexandre V Ivachtchenko, Ilya Okun, Vladimir Aladinskiy, et al.
Methods in Molecular Biology (Clifton, N.J.)
|
May 31, 2018
Method for Ultrarapid High-Content Screening for Biologically Active Chemicals Using Plant Pollen
Roman Chuprov-Netochin, Elena Marusich, Yaroslav Neskorodov, et al.
Molecular Pharmaceutics
|
September 6, 2018
Entangled Conditional Adversarial Autoencoder for de Novo Drug Discovery
Daniil Polykovskiy, Alexander Zhebrak, Dmitry Vetrov, et al.
Journal of Computer-Aided Molecular Design
|
September 26, 2025
Enhancing accuracy of virtual kinase profiling via application of graph neural network to 3D pharmacophore ensembles
Alexey Ereshchenko, Sergei Evteev, Alexander Malyshev, et al.
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of 2