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Research Output 2010 2018

  • 351 Citations
  • 10 h-Index
  • 25 Article
  • 1 Review article
2018
4 Citations (Scopus)

Peptide biosensors for anticancer drugs: Design in silico to work in denaturizing environment

Guida, F., Battisti, A., Gladich, I., Buzzo, M., Marangon, E., Giodini, L., Toffoli, G., Laio, A. & Berti, F., 15 Feb 2018, In : Biosensors and Bioelectronics. 100, p. 298-303 6 p.

Research output: Contribution to journalArticle

irinotecan
Drug Design
Biosensing Techniques
Biosensors
Computer Simulation
9 Citations (Scopus)

Simulating global horizontal irradiance in the Arabian Peninsula: Sensitivity to explicit treatment of aerosols

Fountoukis, C., Martín-Pomares, L., Astudillo, D., Bachour, D. & Gladich, I., 15 Mar 2018, In : Solar Energy. 163, p. 347-355 9 p.

Research output: Contribution to journalArticle

Aerosols
Solar radiation
Radiation
Meteorology
Radiative transfer
4 Citations (Scopus)
Glyoxal
Stereoselectivity
Solvation
Isomerization
Tuning
3 Citations (Scopus)
ozonesonde
Ozone
Parameterization
parameterization
Boundary layers
2017
18 Citations (Scopus)

A surface-stabilized ozonide triggers bromide oxidation at the aqueous solution-vapour interface

Artiglia, L., Edebeli, J., Orlando, F., Chen, S., Lee, M. T., Corral Arroyo, P., Gilgen, A., Bartels-Rausch, T., Kleibert, A., Vazdar, M., Carignano, M., Francisco, J. S., Shepson, P. B., Gladich, I. & Ammann, M., 1 Dec 2017, In : Nature Communications. 8, 1, 700.

Research output: Contribution to journalArticle

ozonides
Ozone
Bromides
ozone
bromides
7 Citations (Scopus)

Interfaces select specific stereochemical conformations: The isomerization of glyoxal at the liquid water interface

Zhu, C., Kais, S., Zeng, X. C., Francisco, J. S. & Gladich, I., 11 Jan 2017, In : Journal of the American Chemical Society. 139, 1, p. 27-30 4 p.

Research output: Contribution to journalArticle

Glyoxal
Isomerization
Conformations
Aerosols
Water
2016
2 Citations (Scopus)

A quasi-liquid mediated continuum model of faceted ice dynamics

Neshyba, S., Adams, J., Reed, K., Rowe, P. M. & Gladich, I., 16 Dec 2016, In : Journal of Geophysical Research: Atmospheres. 121, 23, p. 14,035-14,055

Research output: Contribution to journalArticle

Ice
ice
continuums
liquid
liquids
14 Citations (Scopus)

Hydrogen bonding and orientation effects on the accommodation of methylamine at the air-water interface

Hoehn, R., Carignano, M., Kais, S., Zhu, C., Zhong, J., Zeng, X. C., Francisco, J. S. & Gladich, I., 7 Jun 2016, In : Journal of Chemical Physics. 144, 21, 214701.

Research output: Contribution to journalArticle

accommodation
Amines
Hydrogen bonds
Aerosols
aerosols
4 Citations (Scopus)

In Silico Design of Short Peptides as Sensing Elements for Phenolic Compounds

Del Carlo, M., Capoferri, D., Gladich, I., Guida, F., Forzato, C., Navarini, L., Compagnone, D., Laio, A. & Berti, F., 25 Mar 2016, In : ACS Sensors. 1, 3, p. 279-286 8 p.

Research output: Contribution to journalArticle

ferulic acid
Cyclic Peptides
Peptides
peptides
Chlorogenic Acid
5 Citations (Scopus)

Protein–protein structure prediction by scoring molecular dynamics trajectories of putative poses

Sarti, E., Gladich, I., Zamuner, S., Correia, B. E. & Laio, A., 1 Sep 2016, In : Proteins: Structure, Function and Bioinformatics. 84, 9, p. 1312-1320 9 p.

Research output: Contribution to journalArticle

Molecular Dynamics Simulation
Vacuum
Molecular dynamics
Trajectories
Benchmarking
2015
8 Citations (Scopus)

Ab initio study of the reaction of ozone with bromide ion

Gladich, I., Francisco, J. S., Buszek, R. J., Vazdar, M., Carignano, M. & Shepson, P. B., 14 May 2015, In : Journal of Physical Chemistry A. 119, 19, p. 4482-4488 7 p.

Research output: Contribution to journalArticle

Ozone
Bromides
ozone
bromides
Ions
7 Citations (Scopus)

Designing High-Affinity Peptides for Organic Molecules by Explicit Solvent Molecular Dynamics

Gladich, I., Rodriguez, A., Hong Enriquez, R. P., Guida, F., Berti, F. & Laio, A., 15 Oct 2015, In : Journal of Physical Chemistry B. 119, 41, p. 12963-12969 7 p.

Research output: Contribution to journalArticle

Molecular Dynamics Simulation
Peptides
peptides
affinity
Molecular dynamics
5 Citations (Scopus)

Mechanism of anisotropic surface self-diffusivity at the prismatic ice-vapor interface

Gladich, I., Oswald, A., Bowens, N., Naatz, S., Rowe, P., Roeselova, M. & Neshyba, S., 7 Aug 2015, In : Physical Chemistry Chemical Physics. 17, 35, p. 22947-22958 12 p.

Research output: Contribution to journalArticle

Ice
diffusivity
ice
Vapors
vapors
2014
9 Citations (Scopus)

Adsorption, mobility, and self-association of naphthalene and 1-methylnaphthalene at the water-vapor interface

Gladich, I., Habartová, A. & Roeselová, M., 13 Feb 2014, In : Journal of Physical Chemistry A. 118, 6, p. 1052-1066 15 p.

Research output: Contribution to journalArticle

Steam
naphthalene
Adsorption
water vapor
Association reactions
112 Citations (Scopus)

A review of air-ice chemical and physical interactions (AICI): Liquids, quasi-liquids, and solids in snow

Bartels-Rausch, T., Jacobi, H. W., Kahan, T. F., Thomas, J. L., Thomson, E. S., Abbatt, J. P. D., Ammann, M., Blackford, J. R., Bluhm, H., Boxe, C., Domine, F., Frey, M. M., Gladich, I., Guzmán, M. I., Heger, D., Huthwelker, T., Klán, P., Kuhs, W. F., Kuo, M. H., Maus, S. & 6 others, Moussa, S. G., McNeill, V. F., Newberg, J. T., Pettersson, J. B. C., Roeselová, M. & Sodeau, J. R., 12 Feb 2014, In : Atmospheric Chemistry and Physics. 14, 3, p. 1587-1633 47 p.

Research output: Contribution to journalReview article

snow
ice
liquid
air
snowpack
14 Citations (Scopus)

Spectroscopic properties of benzene at the air-ice interface: A combined experimental-computational approach

Kania, R., Malongwe, J. K. E., Nachtigallová, D., Krausko, J., Gladich, I., Roeselová, M., Heger, D. & Klán, P., 4 Sep 2014, In : Journal of Physical Chemistry A. 118, 35, p. 7535-7547 13 p.

Research output: Contribution to journalArticle

Ice
Benzene
ice
Air
benzene
2012
18 Citations (Scopus)

Comparison of selected polarizable and nonpolarizable water models in molecular dynamics simulations of ice I h

Gladich, I. & Roeselová, M., 28 Aug 2012, In : Physical Chemistry Chemical Physics. 14, 32, p. 11371-11385 15 p.

Research output: Contribution to journalArticle

Ice
Molecular Dynamics Simulation
Molecular dynamics
ice
molecular dynamics
2011
17 Citations (Scopus)

Arrhenius analysis of anisotropic surface self-diffusion on the prismatic facet of ice

Gladich, I., Pfalzgraff, W., Maršálek, O., Jungwirth, P., Roeselová, M. & Neshyba, S., 28 Nov 2011, In : Physical Chemistry Chemical Physics. 13, 44, p. 19960-19969 10 p.

Research output: Contribution to journalArticle

Ice
surface diffusion
flat surfaces
ice
Temperature
Photochemical reactions
Polycyclic Aromatic Hydrocarbons
Ice
Polycyclic aromatic hydrocarbons
Snow
15 Citations (Scopus)

Halide affinity for the water-air interface in aqueous solutions of mixtures of sodium salts

Gladich, I., Shepson, P. B., Carignano, M. & Szleifer, I., 16 Jun 2011, In : Journal of Physical Chemistry A. 115, 23, p. 5895-5899 5 p.

Research output: Contribution to journalArticle

halides
affinity
Salts
Sodium
Air
Photochemical reactions
Ice
Polycyclic aromatic hydrocarbons
Adsorption
Liquids
9 Citations (Scopus)

On the diurnal cycle of deep moist convection in the southern side of the Alps analysed through cloud-to-ground lightning activity

Gladich, I., Gallai, I., Giaiotti, D. B. & Stel, F., Jun 2011, In : Atmospheric Research. 100, 4, p. 371-376 6 p.

Research output: Contribution to journalArticle

cloud to ground lightning
convection
temperature
distribution
29 Citations (Scopus)

Self-organization of 1-methylnaphthalene on the surface of artificial snow grains: A combined experimental-computational approach

Heger, D., Nachtigallová, D., Surman, F., Krausko, J., Magyarová, B., Brumovský, M., Rubeš, M., Gladich, I. & Klán, P., 20 Oct 2011, In : Journal of Physical Chemistry A. 115, 41, p. 11412-11422 11 p.

Research output: Contribution to journalArticle

Snow
snow
excimers
Ice
Photochemistry
14 Citations (Scopus)

The ice-vapor interface and the melting point of ice Ih for the polarizable POL3 water model

Muchová, E., Gladich, I., Picaud, S., Hoang, P. N. M. & Roeselová, M., 16 Jun 2011, In : Journal of Physical Chemistry A. 115, 23, p. 5973-5982 10 p.

Research output: Contribution to journalArticle

Ice
Freezing
melting points
Melting point
ice
2010
14 Citations (Scopus)

Halide and sodium ion parameters for modeling aqueous solutions in TIP5P-Ew water

Gladich, I., Shepson, P., Szleifer, I. & Carignano, M., 1 Apr 2010, In : Chemical Physics Letters. 489, 1-3, p. 113-117 5 p.

Research output: Contribution to journalArticle

halides
Sodium
sodium
Ions
aqueous solutions
10 Citations (Scopus)

Negative heat capacity of small systems in the microcanonical ensemble

Carignano, M. & Gladich, I., 1 Jun 2010, In : EPL. 90, 6, 63001.

Research output: Contribution to journalArticle

specific heat
potential energy
energy