Easy-MODA: Simplifying standardised registration of scientific simulation workflows through MODA template guidelines powered by the Enalos Cloud Platform.

Autor: Kolokathis PD; NovaMechanics MIKE, Piraeus 18545, Greece.; Entelos Institute, Larnaca 6059, Cyprus., Sidiropoulos NK; NovaMechanics MIKE, Piraeus 18545, Greece.; Entelos Institute, Larnaca 6059, Cyprus., Zouraris D; Entelos Institute, Larnaca 6059, Cyprus.; NovaMechanics Ltd, Nicosia 1070, Cyprus., Varsou DD; NovaMechanics MIKE, Piraeus 18545, Greece.; Entelos Institute, Larnaca 6059, Cyprus., Mintis DG; Entelos Institute, Larnaca 6059, Cyprus.; NovaMechanics Ltd, Nicosia 1070, Cyprus., Tsoumanis A; NovaMechanics MIKE, Piraeus 18545, Greece.; NovaMechanics Ltd, Nicosia 1070, Cyprus., Dondero F; Entelos Institute, Larnaca 6059, Cyprus.; Department of Science and Technological Innovation, Università del Piemonte Orientale, 15121 Alessandria, Italy., Exner TE; SevenPastNine GmbH, Rebacker 68, 79650 Schopfheim, Germany., Sarimveis H; School of Chemical Engineering, National Technical University of Athens, 15780 Zografou, Greece., Chaideftou E; Department of Medical Biochemistry, Medical University of Innsbruck, Innsbruck, Austria., Paparella M; Department of Medical Biochemistry, Medical University of Innsbruck, Innsbruck, Austria., Nikiforou F; Aristotle University of Thessaloniki, Department of Chemical Engineering, Environmental Engineering Laboratory, University Campus, Thessaloniki 54124, Greece., Karakoltzidis A; Aristotle University of Thessaloniki, Department of Chemical Engineering, Environmental Engineering Laboratory, University Campus, Thessaloniki 54124, Greece., Karakitsios S; Aristotle University of Thessaloniki, Department of Chemical Engineering, Environmental Engineering Laboratory, University Campus, Thessaloniki 54124, Greece., Sarigiannis D; Aristotle University of Thessaloniki, Department of Chemical Engineering, Environmental Engineering Laboratory, University Campus, Thessaloniki 54124, Greece., Friis J; Department of Materials and Nanotechnology, SINTEF Industry, Trondheim N-7465, Norway.; European Materials Modelling Council, Brussels 1050, Belgium., Goldbeck G; European Materials Modelling Council, Brussels 1050, Belgium.; Goldbeck Consulting Limited, Cambridge CB4 0WS, UK., Winkler DA; La Trobe Institute for Molecular Science, La Trobe University, Bundoora, Australia.; Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, Australia.; School of Pharmacy, University of Nottingham, Nottingham, UK., Peijnenburg W; Institute of Environmental Sciences (CML), Leiden University, Leiden 2300 RA, The Netherlands.; Centre for Safety of Substances and Products, National Institute of Public Health and the Environment (RIVM), Bilthoven 3720, The Netherlands., Serra A; FHAIVE, Faculty of Medicine and Health Technology, Tampere University, Finland., Greco D; FHAIVE, Faculty of Medicine and Health Technology, Tampere University, Finland., Melagraki G; Division of Physical Sciences and Applications, Hellenic Military Academy, Vari 16672, Greece., Lynch I; Entelos Institute, Larnaca 6059, Cyprus.; School of Geography, Earth and Environmental Sciences, University of Birmingham, Birmingham B15 2TT, UK., Afantitis A; NovaMechanics MIKE, Piraeus 18545, Greece.; Entelos Institute, Larnaca 6059, Cyprus.; NovaMechanics Ltd, Nicosia 1070, Cyprus.

Publikováno v: Computational and structural biotechnology journal [Comput Struct Biotechnol J] 2024 Oct 18; Vol. 25, pp. 256-268. Date of Electronic Publication: 2024 Oct 18 (Print Publication: 2024).

Mikto-Arm Stars as Soft-Patchy Particles: From Building Blocks to Mesoscopic Structures.

Autor: Bačová P; Computation-Based Science and Technology Research Center, The Cyprus Institute, 20 Constantinou Kavafi Str., Nicosia 2121, Cyprus.; Institute of Applied and Computational Mathematics (IACM), Foundation for Research and Technology Hellas (FORTH), GR-70013 Heraklion, Crete, Greece., Mintis DG; Computation-Based Science and Technology Research Center, The Cyprus Institute, 20 Constantinou Kavafi Str., Nicosia 2121, Cyprus., Gkolfi E; Institute of Applied and Computational Mathematics (IACM), Foundation for Research and Technology Hellas (FORTH), GR-70013 Heraklion, Crete, Greece.; Department of Mathematics and Applied Mathematics, University of Crete, GR-70013 Heraklion, Crete, Greece., Harmandaris V; Computation-Based Science and Technology Research Center, The Cyprus Institute, 20 Constantinou Kavafi Str., Nicosia 2121, Cyprus.; Institute of Applied and Computational Mathematics (IACM), Foundation for Research and Technology Hellas (FORTH), GR-70013 Heraklion, Crete, Greece.; Department of Mathematics and Applied Mathematics, University of Crete, GR-70013 Heraklion, Crete, Greece.

Publikováno v: Polymers [Polymers (Basel)] 2021 Apr 01; Vol. 13 (7). Date of Electronic Publication: 2021 Apr 01.

Effect of pH and Molecular Length on the Structure and Dynamics of Linear and Short-Chain Branched Poly(ethylene imine) in Dilute Solution: Scaling Laws from Detailed Molecular Dynamics Simulations.

Autor: Mintis DG; Department of Chemical Engineering, University of Patras & FORTH-ICE/HT, Patras, GR26504 Greece., Alexiou TS; Department of Chemical Engineering, University of Patras & FORTH-ICE/HT, Patras, GR26504 Greece., Mavrantzas VG; Department of Chemical Engineering, University of Patras & FORTH-ICE/HT, Patras, GR26504 Greece.; Department of Mechanical and Process Engineering, Particle Technology Laboratory, ETH Zürich, CH-8092 Zürich, Switzerland.

Publikováno v: The journal of physical chemistry. B [J Phys Chem B] 2020 Jul 16; Vol. 124 (28), pp. 6154-6169. Date of Electronic Publication: 2020 Jul 01.

Effect of pH and Molecular Length on the Structure and Dynamics of Short Poly(acrylic acid) in Dilute Solution: Detailed Molecular Dynamics Study.

Autor: Mintis DG; Department of Chemical Engineering , University of Patras & FORTH-ICE/HT , Patras GR26504 , Greece., Mavrantzas VG; Department of Chemical Engineering , University of Patras & FORTH-ICE/HT , Patras GR26504 , Greece.; Particle Technology Laboratory, Department of Mechanical and Process Engineering , ETH Zürich , CH-8092 Zürich , Switzerland.

Publikováno v: The journal of physical chemistry. B [J Phys Chem B] 2019 May 16; Vol. 123 (19), pp. 4204-4219. Date of Electronic Publication: 2019 May 01.