| The SARS-CoV-2 Spike variant D614G favors an open conformational state. RA Mansbach, S Chakraborty, K Nguyen, DC Montefiori, B Korber, ... Sci Adv. 7, eabf3671, 2021 | 221 | 2021 |
| Helical antimicrobial polypeptides with radial amphiphilicity M Xiong, MW Lee, RA Mansbach, Z Song, Y Bao, RM Peek Jr, C Yao, ... Proceedings of the National Academy of Sciences 112 (43), 13155-13160, 2015 | 211 | 2015 |
| A spin-glass model for semi-supervised community detection E Eaton, R Mansbach Proceedings of the AAAI Conference on Artificial Intelligence 26 (1), 900-906, 2012 | 108 | 2012 |
| Discovery of self-assembling π-conjugated peptides by active learning-directed coarse-grained molecular simulation K Shmilovich, RA Mansbach, H Sidky, OE Dunne, SS Panda, JD Tovar, ... The Journal of Physical Chemistry B 124 (19), 3873-3891, 2020 | 99 | 2020 |
| Modulation of polypeptide conformation through donor–acceptor transformation of side-chain hydrogen bonding ligands Z Song, RA Mansbach, H He, KC Shih, R Baumgartner, N Zheng, X Ba, ... Nature communications 8 (1), 92, 2017 | 56 | 2017 |
| Coarse-grained molecular simulation of the hierarchical self-assembly of π-conjugated optoelectronic peptides RA Mansbach, AL Ferguson The Journal of Physical Chemistry B 121 (7), 1684-1706, 2017 | 48 | 2017 |
| Machine learning of single molecule free energy surfaces and the impact of chemistry and environment upon structure and dynamics RA Mansbach, AL Ferguson The Journal of chemical physics 142 (10), 2015 | 41 | 2015 |
| Snails in silico: a review of computational studies on the conopeptides RA Mansbach, T Travers, BH McMahon, JM Fair, S Gnanakaran Marine drugs 17 (3), 145, 2019 | 38 | 2019 |
| Predictive rules of efflux inhibition and avoidance in Pseudomonas aeruginosa J Mehla, G Malloci, R Mansbach, CA López, R Tsivkovski, K Haynes, ... MBio 12 (1), 10.1128/mbio. 02785-20, 2021 | 36 | 2021 |
| Exploring the role of glycans in the interaction of SARS-CoV-2 RBD and human receptor ACE2 K Nguyen, S Chakraborty, RA Mansbach, PD Manrique, B Korber, ... Biophysical Journal 120 (3), 15a, 2021 | 36 | 2021 |
| Reforming an undergraduate materials science curriculum with computational modules R Mansbach, A Ferguson, K Kilian, J Krogstad, C Leal, A Schleife, ... Journal of Materials Education 38 (3-4), 161-174, 2016 | 33 | 2016 |
| Machine learning algorithm identifies an antibiotic vocabulary for permeating Gram-negative bacteria RA Mansbach, IV Leus, J Mehla, CA Lopez, JK Walker, VV Rybenkov, ... Journal of chemical information and modeling 60 (6), 2838-2847, 2020 | 29 | 2020 |
| Effects of pH on an IDP conformational ensemble explored by molecular dynamics simulation RJ Lindsay, RA Mansbach, S Gnanakaran, T Shen Biophysical chemistry 271, 106552, 2021 | 24 | 2021 |
| Control of the hierarchical assembly of π-conjugated optoelectronic peptides by pH and flow RA Mansbach, AL Ferguson Organic & Biomolecular Chemistry 15 (26), 5484-5502, 2017 | 24 | 2017 |
| Patchy particle model of the hierarchical self-assembly of π-conjugated optoelectronic peptides RA Mansbach, AL Ferguson The Journal of Physical Chemistry B 122 (44), 10219-10236, 2018 | 21 | 2018 |
| Combinatorial diversity of Syk recruitment driven by its multivalent engagement with FcεRIγ T Travers, WK Kanagy, RA Mansbach, E Jhamba, C Cleyrat, B Goldstein, ... Molecular Biology of the Cell 30 (17), 2331-2347, 2019 | 20 | 2019 |
| Latent spaces for antimicrobial peptide design S Renaud, RA Mansbach Digital Discovery 2 (2), 441-458, 2023 | 10 | 2023 |
| Work in progress: Computational modules for the matse undergraduate curriculum RA Mansbach, GL Herman, M West, DR Trinkle, A Ferguson, A Schleife 2016 ASEE Annual Conference & Exposition, 2016 | 10 | 2016 |
| Network analysis uncovers the communication structure of SARS-CoV-2 spike protein identifying sites for immunogen design PD Manrique, S Chakraborty, R Henderson, RJ Edwards, R Mansbach, ... Iscience 26 (1), 2023 | 9 | 2023 |
| Graph-directed approach for downselecting toxins for experimental structure determination RA Mansbach, S Chakraborty, T Travers, S Gnanakaran Marine Drugs 18 (5), 256, 2020 | 5 | 2020 |
"Gnana" S. GnanakaranLos Alamos National LabsVerified email at lanl.gov
