Deconstruction of high-density polyethylene into liquid hydrocarbon fuels and lubricants by hydrogenolysis over Ru catalyst C Jia, S Xie, W Zhang, NN Intan, J Sampath, J Pfaendtner, H Lin Chem Catalysis 1 (2), 437-455, 2021 | 150 | 2021 |
Molecular driving forces in peptide adsorption to metal oxide surfaces CM Mao, J Sampath, KG Sprenger, G Drobny, J Pfaendtner Langmuir 35 (17), 5911-5920, 2019 | 43 | 2019 |
MARTINI-compatible coarse-grained model for the mesoscale simulation of peptoids M Zhao, J Sampath, S Alamdari, G Shen, CL Chen, CJ Mundy, ... The Journal of Physical Chemistry B 124 (36), 7745-7764, 2020 | 38 | 2020 |
Studies of Dynamic Binding of Amino Acids to TiO2 Nanoparticle Surfaces by Solution NMR and Molecular Dynamics Simulations M Xue, J Sampath, RN Gebhart, HJ Haugen, SP Lyngstadaas, ... Langmuir 36 (35), 10341-10350, 2020 | 27 | 2020 |
Hierarchical self-assembly pathways of peptoid helices and sheets M Zhao, KJ Lachowski, S Zhang, S Alamdari, J Sampath, P Mu, CJ Mundy, ... Biomacromolecules 23 (3), 992-1008, 2022 | 24 | 2022 |
Solid-state NMR and MD study of the structure of the statherin mutant SNa15 on mineral surfaces EL Buckle, A Prakash, M Bonomi, J Sampath, J Pfaendtner, GP Drobny Journal of the American Chemical Society 141 (5), 1998-2011, 2019 | 22 | 2019 |
Impact of ionic aggregate structure on ionomer mechanical properties from coarse-grained molecular dynamics simulations J Sampath, LM Hall The Journal of Chemical Physics 147 (13), 2017 | 22 | 2017 |
Molecular recognition and specificity of biomolecules to titanium dioxide from molecular dynamics simulations J Sampath, A Kullman, R Gebhart, G Drobny, J Pfaendtner npj Computational Materials 6 (1), 34, 2020 | 16 | 2020 |
Impact of ion content and electric field on mechanical properties of coarse-grained ionomers J Sampath, LM Hall The Journal of chemical physics 149 (16), 2018 | 15 | 2018 |
Effect of Neutralization on the Structure and Dynamics of Model Ionomer Melts J Sampath, LM Hall Macromolecules 51 (2), 626-637, 2018 | 15 | 2018 |
Amphiphilic peptide binding on crystalline vs. amorphous silica from molecular dynamics simulations J Sampath, J Pfaendtner Molecular Physics 117 (23-24), 3642-3650, 2019 | 14 | 2019 |
Influence of a nanoparticle on the structure and dynamics of model ionomer melts J Sampath, L Hall Soft Matter 14 (22), 4621-4632, 2018 | 14 | 2018 |
Closing the gap between modeling and experiments in the self-assembly of biomolecules at interfaces and in solution J Sampath, S Alamdari, J Pfaendtner Chemistry of Materials 32 (19), 8043-8059, 2020 | 13 | 2020 |
Trimethylation of the R5 silica‐precipitating peptide increases silica particle size by redirecting orthosilicate binding EL Buckle, J Sampath, N Michael, SD Whedon, CJA Leonen, ... ChemBioChem 21 (22), 3208-3211, 2020 | 9 | 2020 |
Exploring structure and dynamics of the polylactic‐co‐glycolic acid–polyethylene glycol copolymer and its homopolymer constituents in various solvents using all‐atom molecular … CW Nyambura, J Sampath, E Nance, J Pfaendtner Journal of Applied Polymer Science 139 (31), e52732, 2022 | 6 | 2022 |
Structure, Dynamics, and Hydrogen Transport in Amorphous Polymers: An Analysis of the Interplay between Free Volume Element Distribution and Local Segmental Dynamics from … MA Otmi, F Willmore, J Sampath Macromolecules 56 (22), 9042-9053, 2023 | 4 | 2023 |
PEGylation of Insulin and Lysozyme To Stabilize against Thermal Denaturation: A Molecular Dynamics Simulation Study Y Jia, A Fernandez, J Sampath The Journal of Physical Chemistry B 127 (31), 6856-6866, 2023 | 4 | 2023 |
Efficient Sampling of High-Dimensional Free Energy Landscapes: A Review of Parallel Bias Metadynamics S Alamdari, J Sampath, A Prakash, LD Gibson, J Pfaendtner Foundations of Molecular Modeling and Simulation: Select Papers from FOMMS …, 2021 | 3 | 2021 |
Impact of crystalline domains on long‐term stability and mechanical performance of anisotropic silk fibroin sponges EL Aikman, AP Rao, Y Jia, EE Fussell, KE Trumbull, J Sampath, ... Journal of Biomedical Materials Research Part A, 2024 | 1 | 2024 |
Evolution of free volume elements in amorphous polymers undergoing uniaxial deformation: a molecular dynamics simulations study B Wernisch, M Al Otmi, E Beauvais, J Sampath Molecular Systems Design & Engineering 9 (2), 214-225, 2024 | 1 | 2024 |