Jordi Marti

1- Microscopic interactions of melatonin, serotonin and tryptophan with zwitterionic phospholipid membranes
Marti, J. and Lu, H.
International journal of molecular sciences 22 2842:1-2842:25 (2021)

2- Cellular absorption of small molecules: free energy landscapes of melatonin binding at phospholipid membranes
Lu, H. ; Marti, J.
Scientific reports 10 1-12 (2020)

3- Influence of cholesterol on the orientation of the farnesylated GTP-bound KRas-4B binding with anionic model membranes
Huixia, L. ; Marti, J.
Membranes 10 364:1-364:19 (2020)

4- Long-lasting salt bridges provide the anchoring mechanism of oncogenic kirsten rat sarcoma proteins at cell membranes
Huixia, L. ; Marti, J.
Journal of Physical Chemistry Letters 11 9938-9945 (2020)

5- Efficient recursive Adams-Bashforth methods in molecular dynamics simulations of N-body systems interacting through pairwise potentials
Marti, J. ; Díaz, B.
Molecular simulation 46 1248-1254 (2020)

6- Influence of cholesterol on the orientation of the farnesylated GTP-bound KRas-4B binding with anionic model membranes
Huixia, L. and Marti, J.
Membranes 10 364:1-364:19 (2020)

7- Binding and dynamics of melatonin at the interface of phosphatidylcholine-cholesterol membranes
Huixia, L. ; Marti, J.
PloS one 14 e0224624:1-e0224624:20 (2019)

8- Free-energy surfaces of ionic adsorption in cholesterol-free and cholesterol-rich phospholipid membranes
Marti, J.
Molecular simulation 44 1136-1146 (2018)

9- Effects of cholesterol on the binding of the precursor neurotransmitter tryptophan to zwitterionic membranes
Lu, H. ; Marti, J.
Journal of chemical physics 149 164906-1-164906-10 (2018)

10- Binding free energies of small-molecules in phospholipid membranes: aminoacids, serotonin and melatonin
Lu, H. ; Marti, J.
Chemical physics letters 712 190-195 (2018)

11- Surface behavior of aprotic mixtures: dimethyl sulfoxide/acetonitrile
Rodriguez, J. ; Elola, M. ; Marti, J. ; Laria, D.
Journal of Physical Chemistry C 121 14618-14627 (2017)

12- Molecular dynamics of di-palmitoyl-phosphatidyl-choline biomembranes in ionic solution: adsorption of the precursor neurotransmitter tryptophan
Marti, J. ; Lu, H.
Procedia computer science 108 1242-1250 (2017)

13- Structure and dynamics of water at carbon-based interfaces
Marti, J. ; Calero, C. ; Franzese, G.
Entropy: international and interdisciplinary journal of entropy and information studies 19 1-20 (2017)

14- Potentials of mean force in acidic proton transfer reactions in constrained geometries
Marti, J.
Molecular simulation 43 134-140 (2016)

15- Multistate empirical valence bond study of temperature and confinement effects on proton transfer in water inside hydrophobic nanochannels
Tahat, A. ; Marti, J.
Journal of computational chemistry 37 1935-1946 (2016)

16- Pair interactions among ternary DPPC/POPC/cholesterol mixtures in liquid-ordered and liquid-disordered phases
Yang, J. ; Marti, J. ; Calero, C.
Soft matter 12 4557-4561 (2016)

17- Free energy landscapes of sodium ions bound to DMPC–cholesterol membrane surfaces at infinite dilution
Yang, J. ; Bonomi, M. ; Calero, C. ; Marti, J.
Physical chemistry chemical physics 18 9036-9041 (2016)

18- Proton transfer in liquid water confined inside graphene slabs
Tahat, A. ; Marti, J.
Physical review E: statistical, nonlinear, and soft matter physics 92 032402-1-032402-10 (2015)

19- Specific ion binding at phospholipid membrane surfaces
Marti, J. ; Calero, C. ; Bonomi, M. ; Yang, J.
Journal of chemical theory and computation 11 4495-4499 (2015)

20- 1H nuclear spin relaxation of liquid water from molecular dynamics simulations
Calero, C. ; Marti, J. ; Guardia, E.
Journal of physical chemistry B 119 1966-1973 (2015)

21- Dynamical aspects of intermolecular proton transfer in liquid water and low-density amorphous ices
Tahat, A. ; Marti, J.
Physical review E: statistical, nonlinear, and soft matter physics 89 052130-1-052130-10 (2014)

22- Diffusion and spectroscopy of water and lipids in fully hydrated dimyristoylphosphatidylcholine bilayer membranes
Yang, J. ; Calero, C. ; Marti, J.
Journal of chemical physics 140 104901-1-104901-13 (2014)

23- Pattern recognition and data mining software based on artificial neural networks applied to proton transfer in aqueous environments
Tahat, A. ; Marti, J. ; Khwaldeh, A. ; Tahat, K.
Chinese Physics B 23 046101-1-046101-12 (2014)

24- Characterization of the methane-graphene hydrophobic interaction in aqueous solution from ab initio simulations
Calero, C. ; Marti, J. ; Guardia, E. ; Masia, M.
Journal of chemical theory and computation 9 5070-5075 (2013)

25- Size effects on water adsorbed on hydrophobic probes at the nanometric scale
Calero, C. ; Gordillo, C. ; Marti, J.
Journal of chemical physics 138 214702-1-214702-8 (2013)

26- AJAC: atomic data calculation tool in Python
Tahat, A. ; Marti, J. ; Tahat, K. ; Khwaldeh, A.
Chinese Physics B 22 048901-1-048901-13 (2013)

27- Atomic data mining numerical methods, source code SQlite with Python
Khwaldeh, A. ; Tahat, A. ; Marti, J. ; Tahat, M.
Procedia - Social and behavioral sciences 73 232-239 (2013)

28- Excess protons in mesoscopic water-acetone nanoclusters
Semino, R. ; Marti, J. ; Guardia, E. ; Laria, D.
Journal of chemical physics 137 1-8 (2012)

29- Software refactoring: solving the time-dependent Schrodinger equation via fast Fourier transforms and parallel programming
Khwaldeh, A. ; Tahat, A. ; Marti, J.
Journal of applied sciences 12 2115-2127 (2012)

30- Maintenance and reengineering of software: creating a Visual C++ graphical user interface to perform specific tasks related to soil structure interaction in poroelastic soil
Khwaldeh, A. ; Tahat, A. ; Marti, J. ; Tahat, M.
Information technology journal 11 1553-1569 (2012)

31- Specific ion effects in aqueous eletrolyte solutions confined within graphene sheets at the nanometric scale
Sala Viñas, J. ; Guardia, E. ; Marti, J.
Physical chemistry chemical physics 14 10799-10808 (2012)

32- Fitting properties from density functional theory based molecular dynamics simulations to parameterize a rigid water force field
Sala Viñas, J. ; Guardia, E. ; Marti, J. ; Spangberg, D. ; Masia, M.
Journal of chemical physics 136 054103-1-054103-10 (2012)

33- Aqueous electrolytes confined within functionalized silica nanopores
Videla, P. ; Marti, J. ; Guardia, E. ; Laria, D. ; Sala, J.
Journal of chemical physics 135 104503-1-104503-6 (2011)

34- Wetting and prewetting of water on top of a single sheet of hexagonal boron nitride
Gordillo, C. ; Marti, J.
Physical review E: statistical, nonlinear, and soft matter physics 84 011602-1-011602-5 (2011)

35- Water on graphene surfaces
Gordillo, C. ; Marti, J.
Journal of physics: condensed matter 22 284111-1-284111-8 (2010)

36- Effects of concentration on structure, dielectric, and dynamic properties of aqueous NaCl solutions using a polarizable model
Sala, J. ; Guardia, E. ; Marti, J.
Journal of chemical physics 132 214505-1-214505-11 (2010)

37- Molecular dynamics simulations of water confined in graphene nanochannels: from ambient to supercritical environments
Marti, J. ; Guardia, E. ; Sala, J.
Journal of molecular liquids 153 72-78 (2010)

38- Effect of Surface Roughness on the Static and Dynamic Properties of Water Adsorbed on Graphene
Gordillo, M. C. ; Marti, J.
Journal of physical chemistry B 114 4583-4589 (2010)

39- Dynamics of water nanodroplets and aqueous protons in non-ionic reverse micelles
Rodriguez, J. ; Laria, D. ; Guardia, E. ; Marti, J.
Physical chemistry chemical physics 11 1484-1490 (2009)

40- Molecular dynamics simulations of supercritical water confined within a carbon-slit pore
Marti, J. ; Guardia, E. ; Gordillo, M. C. ; Sala, J.
Physical review E: statistical, nonlinear, and soft matter physics 79 031606-1-031606-10 (2009)

41- Structure of water adsorbed on a single graphene sheet
Gordillo, M. C. ; Marti, J.
Physical review B: condensed matter and materials physics 78 075432-1-075432-5 (2008)

42- Exploring the picosecond time domain of the solvation dynamics of coumarin 153 within beta-cyclodextrins
Rodriguez, J. ; Marti, J. ; Guardia, E. ; Laria, D.
Journal of physical chemistry B 112 8990-8998 (2008)

43- Liquid water confined in carbon nanochannels at high temperatures
Nagy, G. ; Gordillo, M. C. ; Guardia, E. ; Marti, J.
Journal of physical chemistry B 111 12524-12530 (2007)

44- Protons in non-ionic aqueous reverse micelles
Rodriguez, J. ; Marti, J. ; Guardia, E. ; Laria, D.
Journal of physical chemistry B 111 4432-4439 (2007)

45- High temperature behavior of water inside flat graphite nanochannels
Gordillo, M. C. ; Marti, J.
Physical review B: condensed matter and materials physics 75 5436.1-5436.5 (2007)

46- Molecular dynamics simulation of liquid water confined inside graphite channels: dielectric and dynamical properties
Marti, J. ; Guardia, E. ; Nagy, G. ; Gordillo, M. C.
Journal of physical chemistry B 110 23987-23994 (2006)

47- Reorientational dynamics of water in aquoeus ionic solutions at supercritical conditions: a compter simulations study
Guardia, E. ; Laria, D. ; Marti, J.
Journal of molecular liquids 125 107-114 (2006)

48- Hydrogen bond structure and dynamics in aqueous electrolytes at ambient and supercritical conditions
Guardia, E. ; Marti, J. ; Laria, D.
Journal of physical chemistry B 110 6332-6338 (2006)

49- Molecular simulation of liquid water confined inside graphite channels: thermodynamics and structural properties
Marti, J. ; Nagy, G. ; Gordillo, M. C. ; Guardia, E.
Journal of chemical physics 124-9 1-7 (2006)

50- Ion solvation in aqueous supercritical electrolyte solutions at finite concentrations: a computer simulation study
Guardia, E. ; Marti, J. ; Padro, J.
Theoretical chemistry accounts 115 161-169 (2006)

51- Temperature dependence of the generalized frequency distribution of water molecules: comparison of experiments and molecular dynamics simulations
Lisichkin, Y. ; Saharova, L. ; Marti, J. ; Novikov, A.
Molecular simulation 31 1019-1025 (2005)

52- Structure of water nanoconfined between hydrophobic surfaces
Marti, J. ; Nagy, G. ; Gordillo, M. C.
Journal of chemical physics 123-5 4707.1-4707.9 (2005)

53- A molecular dynamics simulation study of hydrogen bonding in aqueous ionic solutions
Guardia, E. ; Marti, J. ; Garcia, L. ; Laria, D.
Journal of molecular liquids 117 63-67 (2005)

54- A molecular dynamics transition path sampling study of model lipid bilayer membranes in aqueous environments
Marti, J.
Journal of physics: condensed matter 16 5669-5678 (2004)

55- Transition path sampling study of flip-flop transitions in model lipid bilayer membranes
Marti, J. ; Csajka, F.
Physical review E, statistical physics, plasmas, fluids, and related interdisciplinary topics 69-6 1-7 (2004)

56- Protons in supercritical water: a multistate empirical valence bond study
Laria, D. ; Marti, J. ; Guardia, E.
Journal of the American Chemical Society 126 2125-2134 (2004)

57- Density and temperature effects on the orientational and dielectric properties of supercritical water
Guardia, E. ; Marti, J.
Physical review E, statistical physics, plasmas, fluids, and related interdisciplinary topics 69 1-11 (2004)

58- Structure and dynamics of liquid water adsorbed on the external walls of carbon nanotubes
Marti, J. ; Gordillo, M. C.
Journal of chemical physics 119 12540-12546 (2003)

59- Water on the outside of carbon nanotube bundles
Gordillo, M. C. ; Marti, J.
Physical review B: condensed matter and materials physics 67 1-4 (2003)

60- Flip-flop dynamics in a model lipid bilayer membrane
Marti, J. ; Csajka, F.
Europhysics letters 61 409-414 (2003)

61- An interpretation of the low-frequency spectrum of liquid water
Padro, J. ; Marti, J.
Journal of chemical physics 118 452-453 (2003)

62- Density dependence of reorientational dynamics in supercritical water
Guardia, E. ; Marti, J.
Journal of molecular liquids 101 137-147 (2002)

63- Reorientational motions in sub- and supercritical water under extreme confinement
Marti, J. ; Guardia, E. ; Gordillo, M. C.
Chemical physics letters 365 536-541 (2002)

64- Molecular dynamics description of a layer of water molecules on a hydrophobic surface
Gordillo, M. C. ; Marti, J.
Journal of chemical physics 117 3425-3430 (2002)

65- Dynamics in hydrogen bonded liquids: water and alcohols
Guardia, E. ; Marti, J. ; Padro, J. ; Saiz, L. ; Komolkin, A.
Journal of molecular liquids 96-97 3-17 (2002)

66- Microscopic dynamics of confined supercritical water
Marti, J. ; Gordillo, M. C.
Chemical physics letters 354 227-232 (2002)

67- Transition path sampling study of the local molecular structure in the aqueous solvation of sodium-chloride
Marti, J.
Molecular simulation 27 169-185 (2001)

68- Temperature effects on the static and dynamic properties of liquid water inside nanotubes
Marti, J. ; Gordillo, M. C.
Physical review E, statistical physics, plasmas, fluids, and related interdisciplinary topics 64 1-6 (2001)

69- Hydrogen bonding in supercritical water confined in carbon nanotubes
Gordillo, M. C. ; Marti, J.
Chemical physics letters 341 250-254 (2001)

70- Time-dependent properties of liquid water isotopes adsorbed in carbon nanotubes
Marti, J. ; Gordillo, M. C.
Journal of chemical physics 114 10486-10492 (2001)

71- Effects of confinement on the vibrational spectra of liquid water adsorbed in carbon nanotubes
Marti, J. ; Gordillo, M. C.
Physical review B: condensed matter and materials physics 63 5430.1-5430.5 (2001)

72- Hydrogen bond structure of liquid water confined in nanotubes
Gordillo, M. C. ; Marti, J.
Chemical physics letters 329 341-345 (2000)

73- Stochastic transition pathways in the aqueous sodium chloride dissociation process
Marti, J. ; Csajka, F. ; Ch;ler, D.
Chemical physics letters 328 169-176 (2000)

74- The aqueous solvation of sodium chloride: a Monte Carlo transition path sampling study
Marti, J. ; Csajka, F.
Journal of chemical physics 113 1154-1161 (2000)

75- Dynamic properties of hydrogen-bonded networks in supercritical water
Marti, J.
Physical review E, statistical physics, plasmas, fluids, and related interdisciplinary topics 61 449-456 (2000)

76- Rotation-vibration coupling in liquid water investigated by molecular dynamics simulation
Marti, J. ; Padro, J.
Molecular simulation 23 55-62 (1999)

77- Analysis of the hydrogen bonding and vibrational spectra of supercritical model water by molecular dynamics simulations
Marti, J.
Journal of chemical physics 110 6876-6886 (1999)

78- Molecular dynamics simulation of liquid water along the coexistence curve: hydrogen bonds and vibrational spectra
Marti, J. ; Padro, J. ; Guardia, E.
Journal of chemical physics 105 639-649 (1996)

79- A molecular dynamics study of heavy water steam
Marti, J. ; Padro, J. ; Guardia, E.
Molecular physics 86 263-271 (1995)

80- Hydrogen bonding influence on the intermolecular vibrational spectra of liquid methanol
Marti, J. ; Padro, J. ; Guardia, E.
Journal of molecular liquids 64 12647-12654 (1995)

81- Dielectric properties and infrared spectra of liquid water: influence of the dynamic cross correlations
Marti, J. ; Guardia, E. ; Padro, J.
Journal of chemical physics 101 10883-10891 (1994)

82- Molecular dynamics calculation of the infrared spectra in liquid h2o-d2o mixtures
Marti, J. ; Padro, J. ; Guardia, E.
Journal of molecular liquids 62 17-31 (1994)

83- Molecular dynamics simulation of liquid water at 523k
Padro, J. ; Marti, J. ; Guardia, E.
Journal of physics: condensed matter 6 2283-2290 (1994)

84- Computer simulation of molecular motions in liquids: infrared spectra of water and heavy water
Marti, J. ; Padro, J. ; Guardia, E.
Molecular simulation 11 321-336 (1993)