Author of the publication

Comprehensive assessment of deep generative architectures for de novo drug design.

, , , , , , , , and . Briefings Bioinform., (2022)

Please choose a person to relate this publication to

To differ between persons with the same name, the academic degree and the title of an important publication will be displayed. You can also use the button next to the name to display some publications already assigned to the person.

 

Other publications of authors with the same name

Molecular Generation with Reduced Labeling through Constraint Architecture., , , , , , , , , and 2 other author(s). J. Chem. Inf. Model., 63 (11): 3319-3327 (June 2023)Cooperation of structural motifs controls drug selectivity in cyclin-dependent kinases: an advanced theoretical analysis., , , , , and . Briefings Bioinform., (January 2023)Determination of Molecule Category of Ligands Targeting the Ligand-Binding Pocket of Nuclear Receptors with Structural Elucidation and Machine Learning., , , , , , , , , and . J. Chem. Inf. Model., 62 (17): 3993-4007 (2022)Elucidating the Selective Mechanism of Drugs Targeting Cyclin-Dependent Kinases with Integrated MetaD-US Simulation., , , , and . J. Chem. Inf. Model., 64 (17): 6899-6911 (2024)fastDRH: a webserver to predict and analyze protein-ligand complexes based on molecular docking and MM/PB(GB)SA computation., , , , , , and . Briefings Bioinform., (2022)Causality Extraction in Futures Domain., , , , , , and . IALP, page 111-116. IEEE, (2021)Building a Corpus for Chinese Causality Extraction in Futures Domain., , , , and . CLSW (2), volume 13496 of Lecture Notes in Computer Science, page 302-314. Springer, (2022)Out-of-the-box deep learning prediction of quantum-mechanical partial charges by graph representation and transfer learning., , , , , , , , and . Briefings Bioinform., (2022)Molecular Dynamics Simulations Revealed the Regulation of Ligands to the Interactions between Androgen Receptor and Its Coactivator., , , , , , , , and . J. Chem. Inf. Model., 58 (8): 1652-1661 (2018)Exploring PI3Kγ binding preference with Eganelisib, Duvelisib, and Idelalisib via energetic, pharmacophore and dissociation pathway analyses., , , , , , , , and . Comput. Biol. Medicine, (2022)