FAIR principles for research software (FAIR4RS principles) NP Chue Hong, DS Katz, M Barker, AL Lamprecht, C Martinez, ... Zenodo, 2022 | 97 | 2022 |
Electrostatics, structure prediction, and the energy landscapes for protein folding and binding MY Tsai, W Zheng, D Balamurugan, NP Schafer, BL Kim, MS Cheung, ... Protein Science 25 (1), 255-269, 2016 | 90 | 2016 |
Unraveling the Mechanism of Photoinduced Charge Transfer in Carotenoid–Porphyrin–C60 Molecular Triad AK Manna, D Balamurugan, MS Cheung, BD Dunietz The Journal of Physical Chemistry Letters 6 (7), 1231-1237, 2015 | 58 | 2015 |
Exploring chemical space with discrete, gradient, and hybrid optimization methods D Balamurugan, W Yang, DN Beratan The Journal of chemical physics 129 (17), 2008 | 49 | 2008 |
Structural and Electronic Properties of Bare and Capped CdnSen/CdnTen Nanoparticles (n = 6, 9) AE Kuznetsov, D Balamurugan, SS Skourtis, DN Beratan The Journal of Physical Chemistry C 116 (12), 6817-6830, 2012 | 40 | 2012 |
Effect of hydrogen on ground-state structures of small silicon clusters D Balamurugan, R Prasad Physical Review B 64 (20), 205406, 2001 | 37 | 2001 |
Federated benchmarking of medical artificial intelligence with MedPerf A Karargyris, R Umeton, MJ Sheller, A Aristizabal, J George, A Wuest, ... Nature Machine Intelligence 5 (7), 799-810, 2023 | 26 | 2023 |
Multiscale simulation of the ground and photo-induced charge-separated states of a molecular triad in polar organic solvent: exploring the conformations, fluctuations, and free … D Balamurugan, AJA Aquino, F De Dios, L Flores Jr, H Lischka, ... The Journal of Physical Chemistry B 117 (40), 12065-12075, 2013 | 26 | 2013 |
Structural models of SARS-CoV-2 Omicron variant in complex with ACE2 receptor or antibodies suggest altered binding interfaces JH Lubin, C Markosian, D Balamurugan, R Pasqualini, W Arap, SK Burley, ... BioRxiv, 2021 | 18 | 2021 |
OSG-GEM: Gene expression matrix construction using the open science Grid WL Poehlman, M Rynge, C Branton, D Balamurugan, FA Feltus Bioinformatics and Biology insights 10, BBI. S38193, 2016 | 18 | 2016 |
Medperf: open benchmarking platform for medical artificial intelligence using federated evaluation A Karargyris, R Umeton, MJ Sheller, A Aristizabal, J George, S Bala, ... arXiv preprint arXiv:2110.01406, 2021 | 17 | 2021 |
OSG-KINC: High-throughput gene co-expression network construction using the open science grid WL Poehlman, M Rynge, D Balamurugan, N Mills, FA Feltus 2017 IEEE International Conference on Bioinformatics and Biomedicine (BIBM …, 2017 | 13 | 2017 |
Two-electron transfer pathways J Lin, D Balamurugan, P Zhang, SS Skourtis, DN Beratan The Journal of Physical Chemistry B 119 (24), 7589-7597, 2015 | 12 | 2015 |
Symmetry breaking and structural distortions in charged Si, Ge, Sn, and Pb) molecules D Balamurugan, MK Harbola, R Prasad Physical Review A 69 (3), 033201, 2004 | 10 | 2004 |
Theoretical analysis of a high performance protein imprint on a nanosensor J Chen, C Lewis, D Balamurugan, Z Yang, L Ai, D Cai Sensing and bio-sensing research 7, 12-19, 2016 | 8 | 2016 |
Effect of nuclear quadrupole interaction on the relaxation in amorphous solids IY Polishchuk, P Fulde, AL Burin, Y Sereda, D Balamurugan Journal of low temperature physics 140, 355-376, 2005 | 8 | 2005 |
FAIR principles for research software version 1.0 NP Chue Hong, DS Katz, M Barker, AL Lamprecht, C Martinez, ... FAIR4RS Principles v1. 0). Research Data Alliance. DOI: https://doi. org/10 …, 2022 | 7 | 2022 |
Ground state structures and properties of Si3Hn (n = 1–6) clusters D Balamurugan, R Prasad Bulletin of Materials Science 26, 123-125, 2003 | 7 | 2003 |
Fair principles for research software (FAIR4RS principles), 2022 NP Chue Hong, DS Katz, M Barker, AL Lamprecht, C Martinez, ... May, 0 | 6 | |
Charge-induced effects on the structure and properties of silane and disilane derivatives D Balamurugan, R Prasad Physical Review B 73 (23), 235415, 2006 | 5 | 2006 |