Jannis Samios
Overview
Explore the profile of Jannis Samios including associated specialties, affiliations and a list of published articles.
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Articles
16
Citations
33
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Recent Articles
1.
Skarmoutsos I, Samios J, Guardia E
J Phys Chem Lett
. 2022 Aug;
13(33):7636-7644.
PMID: 35952379
Using molecular dynamics simulations in combination with the two-phase thermodynamic model, we reveal novel characteristic fingerprints of the crossing of the Frenkel and melting line on the properties of high-pressure...
2.
Christoforou E, Leontiadou H, Noe F, Samios J, Emiris I, Cournia Z
J Chem Theory Comput
. 2022 Aug;
18(9):5636-5648.
PMID: 35944098
Molecular dynamics simulation is a powerful technique for studying the structure and dynamics of biomolecules in atomic-level detail by sampling their various conformations in real time. Because of the long...
3.
Skarmoutsos I, Henao A, Guardia E, Samios J
J Phys Chem B
. 2021 Sep;
125(36):10260-10272.
PMID: 34491748
The present study reports a systematic analysis of a wide variety of structural, thermodynamic, and dynamic properties of supercritical water along the near-critical isotherm of = 1.03 and up to...
4.
Idrissi A, Marekha B, Barj M, Miannay F, Takamuku T, Raptis V, et al.
J Chem Phys
. 2017 Jun;
146(23):234507.
PMID: 28641432
The information about the structure of dimethyl sulfoxide (DMSO)-water mixtures at relatively low DMSO mole fractions is an important step in order to understand their cryoprotective properties as well as...
5.
Skarmoutsos I, Mossa S, Samios J
J Chem Phys
. 2016 Oct;
145(15):154505.
PMID: 27782484
Molecular dynamics simulation studies were performed to investigate the structural and dynamic properties of liquid carbon disulfide (CS) from ambient to elevated pressure conditions. The results obtained have revealed structural...
6.
Dellis D, Skarmoutsos I, Samios J
J Phys Chem B
. 2011 Sep;
115(42):12098-107.
PMID: 21913703
Molecular dynamics simulation techniques have been employed to investigate the solvation structure and dynamics in dilute mixtures of cis- and trans-1,2-dichloroethene in supercritical carbon dioxide. The calculations were performed for...
7.
Skarmoutsos I, Guardia E, Samios J
J Chem Phys
. 2010 Jul;
133(1):014504.
PMID: 20614973
The hydrogen bonding and dynamics in a supercritical mixture of carbon dioxide with ethanol as a cosolvent (X(ethanol) approximately 0.1) were investigated using molecular dynamics simulation techniques. The results obtained...
8.
Matziari M, Dellis D, Dive V, Yiotakis A, Samios J
J Phys Chem B
. 2009 Dec;
114(1):421-8.
PMID: 20014753
Structure-activity relationship studies, regarding the influence of side chains of phosphinic pseudotripeptidic inhibitors on matrix metalloproteinases (MMPs), provided potent and selective inhibitors for this family of structurally and functionally related...
9.
Skarmoutsos I, Dellis D, Samios J
J Phys Chem B
. 2009 Aug;
113(9):2783-93.
PMID: 19708211
The effect of intermolecular interactions of different strength on the local density inhomogeneities in pure supercritical fluids (scfs), with different intramolecular structure, was investigated by employing molecular dynamics (MD) simulation...
10.
Raptis T, Raptis V, Samios J
J Phys Chem B
. 2007 Nov;
111(49):13683-93.
PMID: 17979265
Diffusion jumps of small molecules dispersed in chain molecules or other kinds of slow-moving matrices have already been observed in many previous simulations of such systems, and their treatment led...