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Arxiv
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December 11, 2023
Enhancing Ligand Pose Sampling for Molecular Docking
Patricia Suriana, Ron O Dror
Journal of Chemical Information and Modeling
|
April 13, 2026
Struct2Query: Structure-Guided Virtual Screening via Composite-Molecule ROCS Queries Derived from Protein Pocket Similarity
Kirill Shmilovich, Patricia Suriana, Vishnu Sresht
Proteins
|
May 9, 2023
Protein model quality assessment using rotation-equivariant transformations on point clouds
Stephan Eismann, Patricia Suriana, Bowen Jing, et al.
ACS Central Science
|
January 1, 2024
Geometric Deep Learning for Structure-Based Ligand Design
Alexander S Powers, Helen H Yu, Patricia Suriana, et al.
Journal of Chemical Information and Modeling
|
May 21, 2026
Large-Scale Collaborative Assessment of Binding Free Energy Calculations for Drug Discovery Using OpenFE
Hannah M Baumann, Joshua T Horton, Michael M Henry, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
Arxiv
|
December 11, 2023
Enhancing Ligand Pose Sampling for Molecular Docking
Patricia Suriana, Ron O Dror
Journal of Chemical Information and Modeling
|
April 13, 2026
Struct2Query: Structure-Guided Virtual Screening via Composite-Molecule ROCS Queries Derived from Protein Pocket Similarity
Kirill Shmilovich, Patricia Suriana, Vishnu Sresht
Proteins
|
May 9, 2023
Protein model quality assessment using rotation-equivariant transformations on point clouds
Stephan Eismann, Patricia Suriana, Bowen Jing, et al.
ACS Central Science
|
January 1, 2024
Geometric Deep Learning for Structure-Based Ligand Design
Alexander S Powers, Helen H Yu, Patricia Suriana, et al.
Journal of Chemical Information and Modeling
|
May 21, 2026
Large-Scale Collaborative Assessment of Binding Free Energy Calculations for Drug Discovery Using OpenFE
Hannah M Baumann, Joshua T Horton, Michael M Henry, et al.
Page
of 1