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RSC Advances
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December 22, 2022
Bond dissociation energies of X-H bonds in proteins
Wojtek Treyde, Kai Riedmiller, Frauke Gräter
Arxiv
|
November 6, 2024
QuickBind: A Light-Weight And Interpretable Molecular Docking Model
Wojtek Treyde, Nazim Bouatta, Seohyun Chris Kim, et al.
RSC Medicinal Chemistry
|
November 7, 2025
C6-Alkoxy substituted penicillins are potent non-covalently binding inhibitors of the SARS-CoV-2 main protease
Dorian-Gabriel Muntean, Wojtek Treyde, Linda Kinena, et al.
European Journal of Medicinal Chemistry
|
June 3, 2026
Cephalosporins are potent SARS-CoV-2 main protease inhibitors
Dorian-Gabriel Muntean, Wojtek Treyde, Dóra Laczi, et al.
Patterns (New York, N.Y.)
|
April 20, 2026
Organizing across disciplines to tackle shared computational challenges
Wojtek Treyde, Aleksy Kwiatkowski, Jascha Achterberg, et al.
Faraday Discussions
|
December 18, 2024
Discovering synthesis targets: general discussion
Andy S Anker, Alán Aspuru-Guzik, Tim Bechtel, et al.
Journal of Chemical Information and Modeling
|
February 26, 2026
A Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery Data
Hugo MacDermott-Opeskin, Jenke Scheen, Cas Wognum, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
RSC Advances
|
December 22, 2022
Bond dissociation energies of X-H bonds in proteins
Wojtek Treyde, Kai Riedmiller, Frauke Gräter
Arxiv
|
November 6, 2024
QuickBind: A Light-Weight And Interpretable Molecular Docking Model
Wojtek Treyde, Nazim Bouatta, Seohyun Chris Kim, et al.
RSC Medicinal Chemistry
|
November 7, 2025
C6-Alkoxy substituted penicillins are potent non-covalently binding inhibitors of the SARS-CoV-2 main protease
Dorian-Gabriel Muntean, Wojtek Treyde, Linda Kinena, et al.
European Journal of Medicinal Chemistry
|
June 3, 2026
Cephalosporins are potent SARS-CoV-2 main protease inhibitors
Dorian-Gabriel Muntean, Wojtek Treyde, Dóra Laczi, et al.
Patterns (New York, N.Y.)
|
April 20, 2026
Organizing across disciplines to tackle shared computational challenges
Wojtek Treyde, Aleksy Kwiatkowski, Jascha Achterberg, et al.
Faraday Discussions
|
December 18, 2024
Discovering synthesis targets: general discussion
Andy S Anker, Alán Aspuru-Guzik, Tim Bechtel, et al.
Journal of Chemical Information and Modeling
|
February 26, 2026
A Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery Data
Hugo MacDermott-Opeskin, Jenke Scheen, Cas Wognum, et al.
Page
of 1