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Journal of Chemical Information and Modeling
|
September 24, 2025
ROSHAMBO2: Accelerating Molecular Alignment for Large Chemical Libraries with GPU Optimization and Algorithmic Advances
Rasha Atwi, Stephen Farr, Ye Wang, et al.
Journal of Chemical Information and Modeling
|
January 1, 2026
Correction to "ROSHAMBO2: Accelerating Molecular Alignment for Large Chemical Libraries with GPU Optimization and Algorithmic Advances"
Rasha Atwi, Stephen Farr, Ye Wang, et al.
Methods in Molecular Biology (Clifton, N.J.)
|
October 29, 2010
Application of Free-Wilson selectivity analysis for combinatorial library design
Simone Sciabola, Robert V Stanton, Theresa L Johnson, et al.
Journal of Chemical Information and Modeling
|
March 27, 2007
A common reference framework for analyzing/comparing proteins and ligands. Fingerprints for Ligands and Proteins (FLAP): theory and application
Massimo Baroni, Gabriele Cruciani, Simone Sciabola, et al.
Nucleic Acids Research
|
December 18, 2012
Improved nucleic acid descriptors for siRNA efficacy prediction
Simone Sciabola, Qing Cao, Modesto Orozco, et al.
Molecular Pharmaceutics
|
August 23, 2019
From Target to Drug: Generative Modeling for the Multimodal Structure-Based Ligand Design
Miha Skalic, Davide Sabbadin, Boris Sattarov, et al.
Bioorganic & Medicinal Chemistry
|
July 31, 2007
Novel TOPP descriptors in 3D-QSAR analysis of apoptosis inducing 4-aryl-4H-chromenes: comparison versus other 2D- and 3D-descriptors
Simone Sciabola, Emanuele Carosati, Lourdes Cucurull-Sanchez, et al.
Mabs
|
March 20, 2026
Application of protein language models for antibody developability prediction
Samad Amini, Yimin Huang, Mark Julian, et al.
Journal of the American Society for Mass Spectrometry
|
March 17, 2025
Macrocyclic Rearrangement Ion Fragmentation of Glutathione Conjugates of Cyclobutane-Containing Covalent BTK Inhibitors
Cathy A Muste, Chungang Gu, H George Vandeveer, et al.
ACS Medicinal Chemistry Letters
|
April 19, 2019
Discovering New Casein Kinase 1d Inhibitors with an Innovative Molecular Dynamics Enabled Virtual Screening Workflow
Simone Sciabola, Paolo Benedetti, Giulia D'Arrigo, et al.
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of 5
Search research articles
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Showing results (11-20 of 46) with videos related to
Sort By:
Page
of 5
Journal of Chemical Information and Modeling
|
September 24, 2025
ROSHAMBO2: Accelerating Molecular Alignment for Large Chemical Libraries with GPU Optimization and Algorithmic Advances
Rasha Atwi, Stephen Farr, Ye Wang, et al.
Journal of Chemical Information and Modeling
|
January 1, 2026
Correction to "ROSHAMBO2: Accelerating Molecular Alignment for Large Chemical Libraries with GPU Optimization and Algorithmic Advances"
Rasha Atwi, Stephen Farr, Ye Wang, et al.
Methods in Molecular Biology (Clifton, N.J.)
|
October 29, 2010
Application of Free-Wilson selectivity analysis for combinatorial library design
Simone Sciabola, Robert V Stanton, Theresa L Johnson, et al.
Journal of Chemical Information and Modeling
|
March 27, 2007
A common reference framework for analyzing/comparing proteins and ligands. Fingerprints for Ligands and Proteins (FLAP): theory and application
Massimo Baroni, Gabriele Cruciani, Simone Sciabola, et al.
Nucleic Acids Research
|
December 18, 2012
Improved nucleic acid descriptors for siRNA efficacy prediction
Simone Sciabola, Qing Cao, Modesto Orozco, et al.
Molecular Pharmaceutics
|
August 23, 2019
From Target to Drug: Generative Modeling for the Multimodal Structure-Based Ligand Design
Miha Skalic, Davide Sabbadin, Boris Sattarov, et al.
Bioorganic & Medicinal Chemistry
|
July 31, 2007
Novel TOPP descriptors in 3D-QSAR analysis of apoptosis inducing 4-aryl-4H-chromenes: comparison versus other 2D- and 3D-descriptors
Simone Sciabola, Emanuele Carosati, Lourdes Cucurull-Sanchez, et al.
Mabs
|
March 20, 2026
Application of protein language models for antibody developability prediction
Samad Amini, Yimin Huang, Mark Julian, et al.
Journal of the American Society for Mass Spectrometry
|
March 17, 2025
Macrocyclic Rearrangement Ion Fragmentation of Glutathione Conjugates of Cyclobutane-Containing Covalent BTK Inhibitors
Cathy A Muste, Chungang Gu, H George Vandeveer, et al.
ACS Medicinal Chemistry Letters
|
April 19, 2019
Discovering New Casein Kinase 1d Inhibitors with an Innovative Molecular Dynamics Enabled Virtual Screening Workflow
Simone Sciabola, Paolo Benedetti, Giulia D'Arrigo, et al.
Page
of 5