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Browsing by Subject Molecular dynamics
Showing results 1 to 17 of 17
| Issue Date | Title | Author(s) | | 5-Sep-2015 | Behavior of pyrene as a polarity probe in palmitoylsphingomyelin and palmitoylsphingomyelin/cholesterol bilayers: A molecular dynamics simulation study | Martins do Canto, António M.T.; Santos, Patrícia D.; Martins, Jorge; Loura, Luís M.S. |
| 5-Sep-2015 | Behavior of pyrene as a polarity probe in palmitoylsphingomyelin and palmitoylsphingomyelin/cholesterol bilayers: A molecular dynamics simulation study | Martins do Canto, António M.T.; Santos, Patrícia D.; Martins, Jorge; Loura, Luís M. S. |
| Sep-2013 | Diffusion coefficients of chlorophenols in water by computer simulation | Parreira, M. Cristina B.; Ramalho, João P. P.; Carvalho, Afredo J. P.; Morgado, Pedro; Filipe, Eduardo J. M. |
| 2010 | Direct calculation of Förster orientation factor of membrane probes by molecular simulation | Loura, Luís M.S.; Carvalho, A.J. Palace; Ramalho, J.P. Prates |
| 5-Apr-2024 | Estudo da mobilidade de fármacos em água - uma abordagem experimental e teórica | Mendes, Felisberto |
| 2025 | Exploring cation size effects in eutectic solventes: an experimental and molecular Dynamics approach | Moreira, Mariana H.; Duarte, Aimone J. C.; Branco, Luís C.; Marrucho, Isabel M.; Martins, Luís F. G. |
| 2016 | Fluorinated surfactants in solution: Diffusion coefficients of fluorinated alcohols in water | Martins, Luís F. G.; Pereira, Luís A. M.; Silva, Gonçalo M. C.; Ascenso, José R.; Morgado, Pedro; Prates Ramalho, João P.; Filipe, Eduardo J. M. |
| 8-Jul-2017 | Molecular dynamics simulations of T-2410 and T-2429 HIV fusion inhibitors interacting with model membranes: Insight into peptide behavior, structure and dynamics | Mavioso, I. C. V. C.; de Andrade, V. C. R.; Palace Carvalho, A. J.; Martins do Canto, A. M. T. |
| 2024 | On the diffusion of carbamazepine, acetaminophen and atenolol in water: An experimental and theoretical approach | Mendes, Felisberto S.; Gonçalves, Alexandra D. A.; Guiomar, Filipa I. S.; Martins, Rafaela N.; Ramalho, João P. P.; Martins, Luís F. G. |
| 2023 | On the diffusion of ketoprofen and ibuprofen in water: An experimental and theoretical approach | Mendes, Felisberto S.; Cruz, Carlos E. M,; Martins, Rafaela N.; Ramalho, João P. P.; Martins, Luís F. G. |
| 17-Nov-2022 | On the diffusion of ketoprofen and ibuprofen in water: An experimental and theoretical approach | Mendes, Felisberto S.; Cruz, Carlos E. M.; Martins, Rafaela N.; Ramalho, João P. P.; Martins, Luís F. G. |
| 17-Nov-2022 | Perfluorinated Alcohols at High Pressure: Experimental Liquid Density and Computer Simulations | Machacaz, Diogo; Eusébio, Tiago M.; Guarda, Cátia; Silva, Gonçalo, M. C.; Morgado, Pedro; Martins, Luís F. G.; Canongia Lopes, José N. A.; Filipe, Eduardo J. M. |
| 2023 | Perfluorinated Alcohols at High Pressure: Experimental Liquid Density and Computer Simulations | Machacaz, Diogo; Eusébio, Tiago M.; Guarda, Cátia; Silva, Gonçalo M. C.; Morgado, Pedro; Martins, Luís F. G.; Canongia Lopes, José N. A.; Filipe, Eduardo J. M. |
| Jun-2015 | Prediction of diffusion coefficients of chlorophenols in water by computer simulation | Martins, Luís F. G.; Parreira, M. Cristina B.; Prates Ramalho, João P.; Morgado, Pedro; Filipe, Eduardo J. M. |
| 2025 | Probing the organization of liquids using 129Xe NMR spectroscopy III: Linear hydrogenated and fluorinated alcohols | Eusébio, Tiago M.; Morgado, Pedro; Martins, Luís F. G.; Filipe, Eduardo J. M. |
| 1-Apr-2008 | T-20 and T-1249 HIV fusion inhibitors’ structure and conformation in solution: a molecular dynamics study | Martins do Canto, António Manuel Teixeira; Palace Carvalho, Alfredo Jorge; Prates Ramalho, João Paulo; Loura, Luís Miguel Santos |
| 2016 | Vapor pressure and liquid density of fluorinated alcohols:Experimental, simulation and GC-SAFT-VR predictions | Silva, Gonçalo M. C.; Morgado, Pedro; Haley, Jessica D.; Trejos Montouya, Victor Manuel; McCabe, Clare; Martins, Luís F. G.; Filipe, Eduardo J. M. |
Showing results 1 to 17 of 17
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