K. Papavasileiou

发表

Molecular dynamics simulation of the n-octacosane-water mixture confined in hydrophilic and hydrophobic mesopores: The effect of oxygenates

L. Peristeras, I. Economou, Jiaqi Chen, 2020 .

A Critical Review on Evaluation of the Marine Resources Mining versus the Land-Based Ones for REE

K. Papavasileiou, 2022, Materials Proceedings.

Multi‐Scale Models for the Prediction of Microscopic Structure and Physical Properties of Chemical Systems Related to Natural Gas Technology

Vasileios K. Michalis, L. Peristeras, I. Economou, 2018, Natural Gas Processing from Midstream to Downstream.

How half sandwich ruthenium compounds interact with DNA while not being hydrolyzed; a comparative study.

S. Divanis, A. Garoufis, Vasilios S. Melissas, 2016, Journal of inorganic biochemistry.

Characterization of Water Solubility in n-Octacosane Using Raman Spectroscopy.

A. P. Fröba, Jiaqi Chen, I. Economou, 2017, The journal of physical chemistry. B.

Coarse-Grained Molecular Dynamics Simulation of Cobalt Nanoparticle in the n-Octacosane–Water Mixture: The Effect of Water Concentration and Nanoparticle Size

G. Boulougouris, L. Peristeras, I. Economou, 2022, The Journal of Physical Chemistry C.

Discovery of New non-steroidal selective glucocorticoid receptor agonists

M. Alexis, D. Mitsiou, C. Potamitis, 2019, The Journal of Steroid Biochemistry and Molecular Biology.

Computational investigation of fullerene-DNA interactions: Implications of fullerene's size and functionalization on DNA structure and binding energetics.

M. Papadopoulos, G. Leonis, A. Avramopoulos, 2017, Journal of molecular graphics & modelling.

An extremely stable Ni(II) complex derived from the hydrolytic cleavage of the C-terminal tail of histone H2A.

N. Hadjiliadis, Vasilios S. Melissas, K. Papavasileiou, 2005, Journal of inorganic biochemistry.

A two-dimensional magnetic hybrid material based on intercalation of a cationic Prussian blue analog in montmorillonite nanoclay.

D. Karamanis, D. Gournis, P. Rudolf, 2010, Journal of colloid and interface science.

Molecular Dynamics Simulation of Water-Based Fracturing Fluids in Kaolinite Slit Pores

Vasileios K. Michalis, L. Peristeras, I. Economou, 2018, The Journal of Physical Chemistry C.

Investigation of bromine atom transfer mechanism from an alkyl bromide molecule to an O-bonded alkyl group in a FAU zeolite by the ONIOM method

Vasilios S. Melissas, K. Papavasileiou, D. K. Papayannis, 2016 .

Transport Properties of Shale Gas in Relation to Kerogen Porosity

L. Peristeras, I. Economou, K. Papavasileiou, 2018 .

Molecular Dynamics Simulation of Pure n-Alkanes and Their Mixtures at Elevated Temperatures Using Atomistic and Coarse-Grained Force Fields.

L. Peristeras, I. Economou, A. Bick, 2019, The journal of physical chemistry. B.

Predictions of water/oil interfacial tension at elevated temperatures and pressures: A molecular dynamics simulation study with biomolecular force fields

I. Economou, O. Moultos, K. Papavasileiou, 2017, Fluid Phase Equilibria.

Probing micro-solvation in "numbers": the case of neutral dipeptides in water.

P. Takis, L. Peristeras, Vasilios S. Melissas, 2013, Physical chemistry chemical physics : PCCP.

"Hit" to lead optimization and chemoinformatic studies for a new series of Autotaxin inhibitors.

G. Melagraki, A. Afantitis, V. Aidinis, 2023, European journal of medicinal chemistry.

An integrated bacterial system for the discovery of chemical rescuers of disease-associated protein misfolding

F. Kolisis, N. Chondrogianni, E. Gonos, 2017, Nature Biomedical Engineering.

Molecular Dynamics Simulation of the n-Octacosane–Water Mixture Confined in Graphene Mesopores: Comparison of Atomistic and Coarse-Grained Calculations and the Effect of Catalyst Nanoparticle

L. Peristeras, I. Economou, A. Bick, 2021 .

Unscrambling micro-solvation of -COOH and -NH groups in neat dimethyl sulfoxide: insights from 1H-NMR spectroscopy and computational studies.

P. Takis, G. Boulougouris, L. Peristeras, 2017, Physical chemistry chemical physics : PCCP.

Molecular Simulation of n-Octacosane–Water Mixture in Titania Nanopores at Elevated Temperature and Pressure

Zoi A. Makrodimitri, Jiaqi Chen, L. Peristeras, 2016 .

Theoretical kinetic study of the CH3Br + OH atmospheric system

Vasilios S. Melissas, K. Papavasileiou, Theodora D. Tzima, 2006 .

AIggregate: A Machine Learning Approach for Classifying Micelle Shape

George Giannakopoulos, L. Peristeras, K. Papavasileiou, 2022, SETN.

A DFT study of the nitric oxide and tyrosyl radical interaction: a proposed radical mechanism.

Y. Sanakis, Vasilios S. Melissas, K. Papavasileiou, 2007, Chemphyschem : a European journal of chemical physics and physical chemistry.

A Systematic Review of Deep Learning Methodologies Used in the Drug Discovery Process with Emphasis on In Vivo Validation

G. Melagraki, A. Afantitis, K. Papavasileiou, 2023, International journal of molecular sciences.

Reverse Micelles As Antioxidant Carriers: An Experimental and Molecular Dynamics Study.

A. Xenakis, M. Papadopoulos, M. Chatzidaki, 2017, Langmuir : the ACS journal of surfaces and colloids.

A Comprehensive Computational Study of the Interaction between Human Serum Albumin and Fullerenes.

Manthos G. Papadopoulos, Georgios Leonis, Aggelos Avramopoulos, 2015, The journal of physical chemistry. B.

Modeling of Bulk Kerogen Porosity: Methods for Control and Characterization

L. Peristeras, I. Economou, K. Papavasileiou, 2017 .

An integrated bacterial system for the discovery of chemical rescuers of disease-associated protein misfolding

F. Kolisis, N. Chondrogianni, E. Gonos, 2017, Nature Biomedical Engineering.

STRENGTHENING THE EUROPEAN RARE EARTHS SUPPLY-CHAIN Challenges and policy options A REPORT BY THE EUROPEAN RARE EARTHS COMPETENCY NETWORK (ERECON)

Patrice Christmann, Arnold Tukker, Gerhard Schmidt, 2015 .

Characterization of Water Solubility in n-Octacosane Using Raman Spectroscopy.

Jiaqi Chen, I. Economou, M. Rausch, 2017, The journal of physical chemistry. B.

Exploring the Binding Effects of Natural Products and Antihypertensive Drugs on SARS-CoV-2: An In Silico Investigation of Main Protease and Spike Protein

G. Melagraki, A. Afantitis, K. Papavasileiou, 2023, International journal of molecular sciences.

A quantum mechanical approach to the oxidation mechanism of graphene oxide (GO)

Vasilios S. Melissas, K. Papavasileiou, Dimitrios K. Papayannis, 2024, Heliyon.