Rupesh Agarwal

8PUBLICATIONS
28CO-AUTHORS
Predictive and prognostic markersCheminformatics and quantitative structure-activity relationshipsBiomolecular modelling and designSequence analysisComputational statistics
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Publications (8)

|Oct 14, 2024
Osteocalcin binds to a GPRC6A Venus fly trap allosteric site to positively modulate GPRC6A signaling.

Rupesh Agarwal, Ruisong Ye, Micholas Dean Smith

|Jul 27, 2024
Structure-Based Identification of Novel Histone Deacetylase 4 (HDAC4) Inhibitors.

Rupesh Agarwal, Pawat Pattarawat, Michael R Duff

|Nov 16, 2023
Comparative Assessment of Pose Prediction Accuracy in RNA-Ligand Docking.

Rupesh Agarwal, Rajitha Rajeshwar T, Jeremy C Smith

|Mar 28, 2023
SARS-CoV2 billion-compound docking.

David M Rogers, Rupesh Agarwal, Josh V Vermaas

|Oct 20, 2022
Speed vs Accuracy: Effect on Ligand Pose Accuracy of Varying Box Size and Exhaustiveness in AutoDock Vina.

Rupesh Agarwal, Jeremy C Smith

|May 18, 2022
Origins of glycan selectivity in streptococcal Siglec-like adhesins suggest mechanisms of receptor adaptation.

Barbara A Bensing, Haley E Stubbs, Rupesh Agarwal

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Frequent Collaborators

4 joint publications

Jeremy C Smith

3 joint publications

Micholas Dean Smith

2 joint publications

Josh V Vermaas

2 joint publications

David M Rogers