| Accounting for van der Waals interactions between adsorbates and surfaces in density functional theory based calculations: selected examples JPP Ramalho, JRB Gomes, F Illas RSC Advances 3 (32), 13085-13100, 2013 | 155 | 2013 |
| First-principles determination of the dispersion interaction between fullerenes and their intermolecular potential JM Pacheco, JPP Ramalho Physical review letters 79 (20), 3873, 1997 | 145 | 1997 |
| Diphenylhexatriene membrane probes DPH and TMA-DPH: A comparative molecular dynamics simulation study AMTM do Canto, JR Robalo, PD Santos, AJP Carvalho, JPP Ramalho, ... Biochimica et Biophysica Acta (BBA)-Biomembranes 1858 (11), 2647-2661, 2016 | 124 | 2016 |
| Influence of surface ionization on the adsorption of aqueous zinc species by activated carbons PJM Carrott, MMLR Carrott, JMV Nabais, JPP Ramalho Carbon 35 (3), 403-410, 1997 | 106 | 1997 |
| Structure and phase transformations of DPPC lipid bilayers in the presence of nanoparticles: insights from coarse-grained molecular dynamics simulations JP Prates Ramalho, P Gkeka, L Sarkisov Langmuir 27 (7), 3723-3730, 2011 | 101 | 2011 |
| Location and dynamics of acyl chain NBD-labeled phosphatidylcholine (NBD-PC) in DPPC bilayers. A molecular dynamics and time-resolved fluorescence anisotropy study LMS Loura, JPP Ramalho Biochimica et Biophysica Acta (BBA)-Biomembranes 1768 (3), 467-478, 2007 | 97 | 2007 |
| Mechanisms of removal of three widespread pharmaceuticals by two clay materials AV Dordio, S Miranda, JPP Ramalho, AJP Carvalho Journal of hazardous materials 323, 575-583, 2017 | 95 | 2017 |
| Recent developments in molecular dynamics simulations of fluorescent membrane probes L Loura, JP Ramalho Molecules 16 (7), 5437-5452, 2011 | 81 | 2011 |
| Fluorescence of nitrobenzoxadiazole (NBD)-labeled lipids in model membranes is connected not to lipid mobility but to probe location M Amaro, HAL Filipe, JPP Ramalho, M Hof, LMS Loura Physical Chemistry Chemical Physics 18 (10), 7042-7054, 2016 | 80 | 2016 |
| Cesiumauride Ammonia (1/1), CsAu⋅NH3: A Crystalline Analogue to Alkali Metals Dissolved in Ammonia? AV Mudring, M Jansen, J Daniels, S Krämer, M Mehring, ... Angewandte Chemie International Edition 41 (1), 120-124, 2002 | 70 | 2002 |
| Effects of fluorescent probe NBD-PC on the structure, dynamics and phase transition of DPPC. A molecular dynamics and differential scanning calorimetry study LMS Loura, F Fernandes, AC Fernandes, JPP Ramalho Biochimica et Biophysica Acta (BBA)-Biomembranes 1778 (2), 491-501, 2008 | 66 | 2008 |
| Design and development of molecularly imprinted polymers for the selective extraction of deltamethrin in olive oil: An integrated computational-assisted approach N Martins, EP Carreiro, A Locati, JPP Ramalho, MJ Cabrita, AJ Burke, ... Journal of Chromatography A 1409, 1-10, 2015 | 46 | 2015 |
| DFT studies on thiophene acetylide Ru (II) complexes for nonlinear optics: Structure–function relationships and solvent effects PJ Mendes, TJL Silva, AJP Carvalho, JPP Ramalho Journal of Molecular Structure: THEOCHEM 946 (1-3), 33-42, 2010 | 44 | 2010 |
| Methyl-cyclopentadienyl ruthenium compounds with 2, 2′-bipyridine derivatives display strong anticancer activity and multidrug resistance potential L Côrte-Real, RG Teixeira, P Gírio, E Comsa, A Moreno, R Nasr, ... Inorganic Chemistry 57 (8), 4629-4639, 2018 | 43 | 2018 |
| Fluorescent membrane probes’ behavior in lipid bilayers: insights from molecular dynamics simulations LMS Loura, JP Prates Ramalho Biophysical reviews 1, 141-148, 2009 | 41 | 2009 |
| Behavior of fluorescent cholesterol analogues dehydroergosterol and cholestatrienol in lipid bilayers: a molecular dynamics study JR Robalo, AMTM do Canto, AJP Carvalho, JPP Ramalho, LMS Loura The Journal of Physical Chemistry B 117 (19), 5806-5819, 2013 | 40 | 2013 |
| NBD-labeled cholesterol analogues in phospholipid bilayers: insights from molecular dynamics JR Robalo, JPP Ramalho, LMS Loura The Journal of Physical Chemistry B 117 (44), 13731-13742, 2013 | 39 | 2013 |
| Density functional theory calculations on η5-monocyclopentadienylnitrilecobalt complexes concerning their second-order nonlinear optical properties PJ Mendes, JPP Ramalho, AJE Candeias, MP Robalo, MH Garcia Journal of Molecular Structure: THEOCHEM 729 (1-2), 109-113, 2005 | 37 | 2005 |
| Diffusion coefficients of fluorinated surfactants in water: experimental results and prediction by computer simulation LAM Pereira, LFG Martins, JR Ascenso, P Morgado, JPP Ramalho, ... Journal of Chemical & Engineering Data 59 (10), 3151-3159, 2014 | 36 | 2014 |
| Behaviour of NBD-head group labelled phosphatidylethanolamines in POPC bilayers: a molecular dynamics study HAL Filipe, LS Santos, JPP Ramalho, MJ Moreno, LMS Loura Physical Chemistry Chemical Physics 17 (31), 20066-20079, 2015 | 35 | 2015 |
Alfredo J. P. CarvalhoDept. Chemistry, School of Sciences and Technology, University of EvoraVerified email at uevora.pt
