Year |
Citation |
Score |
2021 |
Hameedi MA, Prates ET, Garvin MR, Mathews I, Kirtley Amos B, Demerdash O, Bechthold M, Iyer M, Rahighi S, Kneller DW, Kovalevsky A, Irle S, Vuong VQ, Mitchell JC, Labbe A, et al. Structural and functional characterization of NEMO cleavage by SARS-CoV-2 3CLpro. Biorxiv : the Preprint Server For Biology. PMID 34816264 DOI: 10.1101/2021.11.11.468228 |
0.422 |
|
2021 |
Matsumoto RA, Thompson MW, Vuong VQ, Zhang W, Shinohara Y, van Duin ACT, Kent PRC, Irle S, Egami T, Cummings PT. Investigating the Accuracy of Water Models through the Van Hove Correlation Function. Journal of Chemical Theory and Computation. PMID 34516134 DOI: 10.1021/acs.jctc.1c00637 |
0.517 |
|
2021 |
Brady A, Liang K, Vuong VQ, Sacci R, Prenger K, Thompson M, Matsumoto R, Cummings P, Irle S, Wang HW, Naguib M. Pre-Sodiated TiCT MXene Structure and Behavior as Electrode for Sodium-Ion Capacitors. Acs Nano. PMID 33513013 DOI: 10.1021/acsnano.0c09301 |
0.447 |
|
2020 |
Vuong VQ, Madridejos JML, Aradi B, Sumpter BG, Metha GF, Irle S. Density-functional tight-binding for phosphine-stabilized nanoscale gold clusters. Chemical Science. 11: 13113-13128. PMID 34094493 DOI: 10.1039/d0sc04514d |
0.525 |
|
2020 |
Acharya A, Agarwal R, Baker MB, Baudry J, Bhowmik D, Boehm S, Byler KG, Chen SY, Coates L, Cooper CJ, Demerdash O, Daidone I, Eblen JD, Ellingson S, Forli S, ... ... Vuong VQ, et al. Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19. Journal of Chemical Information and Modeling. PMID 33326239 DOI: 10.1021/acs.jcim.0c01010 |
0.31 |
|
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, ... ... Vuong VQ, 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 |
0.471 |
|
2020 |
Irle S, Vuong VQ, Elayyan MH, Talipov MR, Abel SM. Protein Molecular Dynamics Simulations with Approximate QM: What Can We Learn? Methods in Molecular Biology (Clifton, N.J.). 2114: 149-161. PMID 32016892 DOI: 10.1007/978-1-0716-0282-9_10 |
0.529 |
|
2020 |
Vuong VQ, Madridejos JML, Aradi B, Sumpter BG, Metha GF, Irle S. Density-functional tight-binding for phosphine-stabilized nanoscale gold clusters Chemical Science. 11: 13113-13128. DOI: 10.1039/d0sc04514d |
0.346 |
|
2019 |
Vuong VQ, Nishimoto Y, Fedorov DG, Sumpter BG, Niehaus TA, Irle S. The Fragment Molecular Orbital Method Based on Long-range Corrected Density-Functional Tight-Binding. Journal of Chemical Theory and Computation. PMID 30998360 DOI: 10.1021/Acs.Jctc.9B00108 |
0.546 |
|
2019 |
Zhu J, Vuong VQ, Sumpter BG, Irle S. Artificial neural network correction for density-functional tight-binding molecular dynamics simulations Mrs Communications. 9: 867-873. DOI: 10.1557/MRC.2019.80 |
0.508 |
|
2019 |
Lee KH, Vuong VQ, Fung V, Jiang D, Irle S. Density-Functional Tight-Binding for Platinum Clusters and Bulk: Electronic vs Repulsive Parameters Mrs Advances. 4: 1821-1832. DOI: 10.1557/Adv.2019.284 |
0.454 |
|
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