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Journal of Computational Chemistry
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May 24, 2019
KoBra: A rate constant method for prediction of the diffusion of sorbates inside nanoporous materials at different loadings
Panagiotis D Kolokathis, Oleg M Braun
The Journal of Chemical Physics
|
July 27, 2012
On solving the master equation in spatially periodic systems
Panagiotis D Kolokathis, Doros N Theodorou
Computational and Structural Biotechnology Journal
|
November 11, 2024
NanoTube Construct: A web tool for the digital construction of nanotubes of single-layer materials and the calculation of their atomistic descriptors powered by Enalos Cloud Platform
Panagiotis D Kolokathis, Dimitrios Zouraris, Nikolaos K Sidiropoulos, et al.
Polymers
|
August 28, 2025
Effect of pH, Temperature, Molecular Weight and Salt Concentration on the Structure and Hydration of Short Poly(<i>N</i>,<i>N</i>-dimethylaminoethyl methacrylate) Chains in Dilute Aqueous Solutions: A Combined Experimental and Molecular Dynamics Study
Dimitris G Mintis, Marco Dompé, Panagiotis D Kolokathis, et al.
Journal of Chemical Information and Modeling
|
December 29, 2025
HydroNanoConstruct: A Web Application for Digital Construction, Crystal Growth Investigation, and Atomistic Descriptor Calculation of Hydrated Metal Oxide Nanoparticles Powered by the EosCloud Platform
Panagiotis D Kolokathis, Anastasios Sourpis, Dimitris Mintis, et al.
Journal of Chemical Information and Modeling
|
March 25, 2025
<i>UANanoDock</i>: A Web-Based <i>UnitedAtom</i> Multiscale Nanodocking Tool for Predicting Protein Adsorption onto Nanoparticles
Julia Subbotina, Panagiotis D Kolokathis, Andreas Tsoumanis, et al.
Computational and Structural Biotechnology Journal
|
March 29, 2024
ASCOT: A web tool for the digital construction of energy minimized Ag, CuO, TiO<sub>2</sub> spherical nanoparticles and calculation of their atomistic descriptors
Panagiotis D Kolokathis, Evangelos Voyiatzis, Nikolaos K Sidiropoulos, et al.
Methods in Molecular Biology (Clifton, N.J.)
|
September 23, 2024
PFAS-Biomolecule Interactions: Case Study Using Asclepios Nodes and Automated Workflows in KNIME for Drug Discovery and Toxicology
Konstantinos D Papavasileiou, Andreas C Tsoumanis, Panagiotis I Lagarias, et al.
Computational and Structural Biotechnology Journal
|
June 17, 2024
NanoConstruct: A web application builder of ellipsoidal nanoparticles for the investigation of their crystal growth, stability, and the calculation of atomistic descriptors
Panagiotis D Kolokathis, Dimitrios Zouraris, Evangelos Voyiatzis, et al.
Computational and Structural Biotechnology Journal
|
April 22, 2024
In silico assessment of nanoparticle toxicity powered by the Enalos Cloud Platform: Integrating automated machine learning and synthetic data for enhanced nanosafety evaluation
Dimitra-Danai Varsou, Panagiotis D Kolokathis, Maria Antoniou, et al.
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of 2
Search research articles
Search
Showing results (1-10 of 14) with videos related to
Sort By:
Page
of 2
Journal of Computational Chemistry
|
May 24, 2019
KoBra: A rate constant method for prediction of the diffusion of sorbates inside nanoporous materials at different loadings
Panagiotis D Kolokathis, Oleg M Braun
The Journal of Chemical Physics
|
July 27, 2012
On solving the master equation in spatially periodic systems
Panagiotis D Kolokathis, Doros N Theodorou
Computational and Structural Biotechnology Journal
|
November 11, 2024
NanoTube Construct: A web tool for the digital construction of nanotubes of single-layer materials and the calculation of their atomistic descriptors powered by Enalos Cloud Platform
Panagiotis D Kolokathis, Dimitrios Zouraris, Nikolaos K Sidiropoulos, et al.
Polymers
|
August 28, 2025
Effect of pH, Temperature, Molecular Weight and Salt Concentration on the Structure and Hydration of Short Poly(<i>N</i>,<i>N</i>-dimethylaminoethyl methacrylate) Chains in Dilute Aqueous Solutions: A Combined Experimental and Molecular Dynamics Study
Dimitris G Mintis, Marco Dompé, Panagiotis D Kolokathis, et al.
Journal of Chemical Information and Modeling
|
December 29, 2025
HydroNanoConstruct: A Web Application for Digital Construction, Crystal Growth Investigation, and Atomistic Descriptor Calculation of Hydrated Metal Oxide Nanoparticles Powered by the EosCloud Platform
Panagiotis D Kolokathis, Anastasios Sourpis, Dimitris Mintis, et al.
Journal of Chemical Information and Modeling
|
March 25, 2025
<i>UANanoDock</i>: A Web-Based <i>UnitedAtom</i> Multiscale Nanodocking Tool for Predicting Protein Adsorption onto Nanoparticles
Julia Subbotina, Panagiotis D Kolokathis, Andreas Tsoumanis, et al.
Computational and Structural Biotechnology Journal
|
March 29, 2024
ASCOT: A web tool for the digital construction of energy minimized Ag, CuO, TiO<sub>2</sub> spherical nanoparticles and calculation of their atomistic descriptors
Panagiotis D Kolokathis, Evangelos Voyiatzis, Nikolaos K Sidiropoulos, et al.
Methods in Molecular Biology (Clifton, N.J.)
|
September 23, 2024
PFAS-Biomolecule Interactions: Case Study Using Asclepios Nodes and Automated Workflows in KNIME for Drug Discovery and Toxicology
Konstantinos D Papavasileiou, Andreas C Tsoumanis, Panagiotis I Lagarias, et al.
Computational and Structural Biotechnology Journal
|
June 17, 2024
NanoConstruct: A web application builder of ellipsoidal nanoparticles for the investigation of their crystal growth, stability, and the calculation of atomistic descriptors
Panagiotis D Kolokathis, Dimitrios Zouraris, Evangelos Voyiatzis, et al.
Computational and Structural Biotechnology Journal
|
April 22, 2024
In silico assessment of nanoparticle toxicity powered by the Enalos Cloud Platform: Integrating automated machine learning and synthetic data for enhanced nanosafety evaluation
Dimitra-Danai Varsou, Panagiotis D Kolokathis, Maria Antoniou, et al.
Page
of 2