| Year |
Citation |
Score |
| 2020 |
Acharya A, Agarwal R, Baker M, Baudry J, Bhowmik D, Boehm S, Byler K, Coates L, Chen SY, Cooper CJ, Demerdash O, Daidone I, Eblen J, Ellingson SR, Forli S, et al. Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19. Chemrxiv : the Preprint Server For Chemistry. PMID 33200117 DOI: 10.26434/chemrxiv.12725465.v1 |
0.513 |
|
| 2020 |
Ellingson SR, Davis B, Allen J. Machine learning and ligand binding predictions: A review of data, methods, and obstacles. Biochimica Et Biophysica Acta. General Subjects. 129545. PMID 32057823 DOI: 10.1016/J.Bbagen.2020.129545 |
0.42 |
|
| 2019 |
Evangelista W, Ellingson SR, Smith JC, Baudry JY. Ensemble Docking in Drug Discovery: How Many Protein Configurations from Molecular Dynamics Simulations Are Needed to Reproduce Known Ligand Binding? The Journal of Physical Chemistry. B. PMID 30695645 DOI: 10.1021/Acs.Jpcb.8B11491 |
0.667 |
|
| 2018 |
Alghamedy F, Bopaiah J, Jones D, Zhang X, Weiss HL, Ellingson SR. Incorporating Protein Dynamics Through Ensemble Docking in Machine Learning Models to Predict Drug Binding. Amia Joint Summits On Translational Science Proceedings. Amia Joint Summits On Translational Science. 2017: 26-34. PMID 29888034 |
0.41 |
|
| 2016 |
Evangelista W, Weir RL, Ellingson SR, Harris JB, Kapoor K, Smith JC, Baudry J. Ensemble-based docking: From hit discovery to metabolism and toxicity predictions. Bioorganic & Medicinal Chemistry. PMID 27543390 DOI: 10.1016/J.Bmc.2016.07.064 |
0.55 |
|
| 2015 |
Ellingson SR, Miao Y, Baudry J, Smith JC. Multi-conformer ensemble docking to difficult protein targets. The Journal of Physical Chemistry. B. 119: 1026-34. PMID 25198248 DOI: 10.1021/Jp506511P |
0.673 |
|
| 2015 |
Ellingson SR, Wang C, Nagarajan R. Convex-hull voting method on a large data set Bmc Bioinformatics. 16. DOI: 10.1186/1471-2105-16-S15-P2 |
0.314 |
|
| 2014 |
Ellingson SR, Dakshanamurthy S, Brown M, Smith JC, Baudry J. Accelerating Virtual High-Throughput Ligand Docking: current technology and case study on a petascale supercomputer. Concurrency and Computation : Practice & Experience. 26: 1268-1277. PMID 24729746 DOI: 10.1002/Cpe.3070 |
0.647 |
|
| 2014 |
Ellingson SR, Smith JC, Baudry J. Polypharmacology and supercomputer-based docking: Opportunities and challenges Molecular Simulation. 40: 848-854. DOI: 10.1080/08927022.2014.899699 |
0.679 |
|
| 2013 |
Ellingson SR, Smith JC, Baudry J. VinaMPI: facilitating multiple receptor high-throughput virtual docking on high-performance computers. Journal of Computational Chemistry. 34: 2212-21. PMID 23813626 DOI: 10.1002/Jcc.23367 |
0.669 |
|
| 2012 |
Ellingson SR, Baudry J. High-throughput virtual molecular docking with AutoDockCloud Concurrency and Computation: Practice and Experience. 26: 907-916. DOI: 10.1002/Cpe.2926 |
0.689 |
|
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