Concepedia

Rupesh Agarwal

RA

Statistics

Publications

19

Citations

606

H-Index

13

Active since

2009

Affiliations

Oak Ridge National Laboratory(Current)

University of Tennessee at Knoxville

University of Alabama in Huntsville

Nvidia (United States)

Scripps Institution of Oceanography

Rupesh Agarwal is an author at Oak Ridge National Laboratory specializing in ligand binding, computational drug discovery, and drug discovery.

Publications per year

2009–2023

19

Publications

19

Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19

Atanu Acharya, Rupesh Agarwal, Matthew Baker et al. · Journal of Chemical Information and Modeling · 2020 · 190 citations · Full text

Pharmacy, Bioinformatics, High-performance Computing +17

Speed vs Accuracy: Effect on Ligand Pose Accuracy of Varying Box Size and Exhaustiveness in AutoDock Vina

Rupesh Agarwal, Jeremy C. Smith · Molecular Informatics · 2022 · 80 citations · Full text

Life Sciences, Bioinformatics, Biophysics +15

GPU-Accelerated Drug Discovery with Docking on the Summit Supercomputer

Scott LeGrand, Aaron Scheinberg, Andreas F. Tillack et al. · 2020 · 52 citations · Full text

Pharmacy, High-performance Computing, Medicinal Chemistry +17

Evolving consensus on managing vitreo-retina and uvea practice in post-COVID-19 pandemic era

Vishali Gupta, Anand Rajendran, Raja Narayanan et al. · Indian Journal of Ophthalmology · 2020 · 31 citations · Full text

Medicine, Health Policy, Ophthalmology +11

Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor

Jens Gläser, Ada Sedova, Stephanie Galanie et al. · ACS Pharmacology & Translational Science · 2022 · 29 citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +17

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