| Open-channel structure of a pentameric ligand-gated ion channel reveals a mechanism of leaflet-specific phospholipid modulation JT Petroff, NM Dietzen, E Santiago-McRae, B Deng, MS Washington, ... Nature communications 13 (1), 7017, 2022 | 24 | 2022 |
| Computing absolute binding affinities by Streamlined Alchemical Free Energy Perturbation [Article v1. 0] E Santiago-McRae, M Ebrahimi, J Sandberg, G Brannigan, J Hénin Living Journal of Computational Molecular Science 5 (1), 2023 | 8 | 2023 |
| Structural mechanism of leaflet-specific phospholipid modulation of a pentameric ligand-gated ion channel JT Petroff, NM Deitzen, E Santiago-McRae, B Deng, MS Washington, ... bioRxiv, 2022.06. 07.494883, 2022 | 2 | 2022 |
| Rapid Nucleic Acid Reaction Circuits for Point-of-care Diagnosis of Diseases E Santiago-McRae, SW Oh, AM Carlo, O Bar, E Guan, D Zheng, ... Current topics in medicinal chemistry 22 (8), 686-698, 2022 | 2 | 2022 |
| Computing absolute binding affinities by Streamlined Alchemical Free Energy Perturbation E Santiago-McRae, M Ebrahimi, JW Sandberg, G Brannigan, J Hénin bioRxiv, 2022.12. 09.519809, 2022 | 1 | 2022 |
| BPS2025-Allosteric modulation of ELIC by POPG and POPE, and distinguishing overlapping phospholipid binding modes using SAFEP E Santiago-McRae, TT Joseph, WW Cheng, J Henin, GH Brannigan Biophysical Journal 124 (3), 19a, 2025 | | 2025 |
| BPS2025-Measuring lipid binding affinities in unbiased coarse-grained molecular dynamics simulations using the density-threshold affinity J Sandberg, E Santiago-McRae, JJ Ennis, GH Brannigan Biophysical Journal 124 (3), 317a, 2025 | | 2025 |
| BPS2025-The role of blob composition in determining peptide conformation R Lamb, C Pitman, E Santiago-McRae, GH Brannigan Biophysical Journal 124 (3), 490a, 2025 | | 2025 |
| The density-threshold affinity: Calculating lipid binding affinities from unbiased coarse-grained molecular dynamics simulations. JW Sandberg, E Santiago-McRae, J Ennis, G Brannigan Methods in Enzymology 701, 47-82, 2024 | | 2024 |
| Binding free-energy calculation tools: Towards maturity? L Lagardère, E Santiago-McRae, H Santuz, G Fiorin, JP Piquemal, ... Biophysical Journal 123 (3), 424a, 2024 | | 2024 |
| Free energies of lipid binding: A comparison of estimates from coarse-grained and atomistic molecular dynamics E Santiago-McRae, TT Joseph, WW Cheng, J Henin, GH Brannigan Biophysical Journal 123 (3), 376a, 2024 | | 2024 |
| The blobulator: a webtool for identification and visual exploration of hydrophobic modularity in protein sequences C Pitman, E Santiago-McRae, R Lohia, K Bassi, TT Joseph, MEB Hansen, ... bioRxiv, 2024 | | 2024 |
| Investigating the role of membrane composition on the stability of decorated nanoparticle aggregates JJ Ennis, J Sandberg, E Santiago-McRae, J Griepenburg, GH Brannigan Biophysical Journal 122 (3), 551a, 2023 | | 2023 |
| Identification of specific sphingolipid-bama interactions using coarse-grained molecular dynamics simulation of the C. crescentus outer membrane MA Acuña, JJ Ennis, J Sandberg, E Santiago-McRae, E Klein, ... Biophysical Journal 122 (3), 373a, 2023 | | 2023 |
| Absolute binding affinities of phospholipids to Erwinia ligand-gated ion channel (ELIC) by streamlined alchemical free energy perturbations (SAFEP) E Santiago-McRae, JT Petroff, WW Cheng, TT Joseph, J Hénin, ... Biophysical Journal 122 (3), 134a, 2023 | | 2023 |
| Computing Absolute Binding Affinities by Streamlined Alchemical Free Energy Perturbation (SAFEP) E Santiago-McRae, M Ebrahimi, JW Sandberg, G Brannigan, J Hénin | | 2022 |
| Open-channel structure of a pentameric ligand-gated ion channel reveals a mechanism of leaflet-specific phospholipid modulation NM Dietzen, E Santiago-McRae, B Deng, MS Washington, LJ Chen, ... | | 2022 |
| Investigating G-Quadruplex Mimicked Enzyme Kinetics for Molecular Sensing ARM Carlo III, E Santiago-McRae, J Fu | | |
