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Bioinformatics (Oxford, England)
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September 8, 2022
Icolos: a workflow manager for structure-based post-processing of de novo generated small molecules
J Harry Moore, Matthias R Bauer, Jeff Guo, et al.
Journal of Cheminformatics
|
March 29, 2022
Transformer-based molecular optimization beyond matched molecular pairs
Jiazhen He, Eva Nittinger, Christian Tyrchan, et al.
Journal of Chemical Information and Modeling
|
August 30, 2021
LibINVENT: Reaction-based Generative Scaffold Decoration for <i>in Silico</i> Library Design
Vendy Fialková, Jiaxi Zhao, Kostas Papadopoulos, et al.
Journal of Cheminformatics
|
January 12, 2021
SMILES-based deep generative scaffold decorator for de-novo drug design
Josep Arús-Pous, Atanas Patronov, Esben Jannik Bjerrum, et al.
Journal of Chemical Information and Modeling
|
October 29, 2020
REINVENT 2.0: An AI Tool for De Novo Drug Design
Thomas Blaschke, Josep Arús-Pous, Hongming Chen, et al.
Journal of Cheminformatics
|
December 28, 2022
Human-in-the-loop assisted de novo molecular design
Iiris Sundin, Alexey Voronov, Haoping Xiao, et al.
Scientific Reports
|
May 18, 2019
A combined in silico and in vitro study on mouse Serpina1a antitrypsin-deficiency mutants
Reto Eggenschwiler, Atanas Patronov, Jan Hegermann, et al.
Proteins
|
June 12, 2016
BiPPred: Combined sequence- and structure-based prediction of peptide binding to the Hsp70 chaperone BiP
Markus Schneider, Mathias Rosam, Manuel Glaser, et al.
Journal of Chemical Information and Modeling
|
February 24, 2022
Structure-Aware Multimodal Deep Learning for Drug-Protein Interaction Prediction
Penglei Wang, Shuangjia Zheng, Yize Jiang, et al.
Journal of Cheminformatics
|
November 18, 2021
DockStream: a docking wrapper to enhance de novo molecular design
Jeff Guo, Jon Paul Janet, Matthias R Bauer, et al.
Page
of 3
Search research articles
Search
Showing results (11-20 of 24) with videos related to
Sort By:
Page
of 3
Bioinformatics (Oxford, England)
|
September 8, 2022
Icolos: a workflow manager for structure-based post-processing of de novo generated small molecules
J Harry Moore, Matthias R Bauer, Jeff Guo, et al.
Journal of Cheminformatics
|
March 29, 2022
Transformer-based molecular optimization beyond matched molecular pairs
Jiazhen He, Eva Nittinger, Christian Tyrchan, et al.
Journal of Chemical Information and Modeling
|
August 30, 2021
LibINVENT: Reaction-based Generative Scaffold Decoration for <i>in Silico</i> Library Design
Vendy Fialková, Jiaxi Zhao, Kostas Papadopoulos, et al.
Journal of Cheminformatics
|
January 12, 2021
SMILES-based deep generative scaffold decorator for de-novo drug design
Josep Arús-Pous, Atanas Patronov, Esben Jannik Bjerrum, et al.
Journal of Chemical Information and Modeling
|
October 29, 2020
REINVENT 2.0: An AI Tool for De Novo Drug Design
Thomas Blaschke, Josep Arús-Pous, Hongming Chen, et al.
Journal of Cheminformatics
|
December 28, 2022
Human-in-the-loop assisted de novo molecular design
Iiris Sundin, Alexey Voronov, Haoping Xiao, et al.
Scientific Reports
|
May 18, 2019
A combined in silico and in vitro study on mouse Serpina1a antitrypsin-deficiency mutants
Reto Eggenschwiler, Atanas Patronov, Jan Hegermann, et al.
Proteins
|
June 12, 2016
BiPPred: Combined sequence- and structure-based prediction of peptide binding to the Hsp70 chaperone BiP
Markus Schneider, Mathias Rosam, Manuel Glaser, et al.
Journal of Chemical Information and Modeling
|
February 24, 2022
Structure-Aware Multimodal Deep Learning for Drug-Protein Interaction Prediction
Penglei Wang, Shuangjia Zheng, Yize Jiang, et al.
Journal of Cheminformatics
|
November 18, 2021
DockStream: a docking wrapper to enhance de novo molecular design
Jeff Guo, Jon Paul Janet, Matthias R Bauer, et al.
Page
of 3