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| Issue Date | Title | Author(s) |
| Nov-2017 | The effect of proton and potential gradients on integral membrane proteins: Insights from Molecular Dynamics simulations | Daskalakis, Vangelis |
| 21-Nov-2014 | Effects of surface-active organic matter on carbon dioxide nucleation in atmospheric wet aerosols: A molecular dynamics study | Daskalakis, Vangelis ; Charalambous, Fevronia ; Panagiotou, Fostira ; Nearchou, Irene |
| 2007 | EGEE: Applications in Classical and Quantum Molecular Dynamics | Daskalakis, Vangelis ; Giatromanolakis, Manos ; Farantos, Stavros C. ; Gerbasi, Osvaldo |
| 1-Oct-2016 | Energizing the light harvesting antenna: Insight from CP29 | Ioannidis, Nikolaos E. ; Papadatos, Sotiris ; Daskalakis, Vangelis |
| 1-Aug-2023 | Engineering salt-tolerant Cas12f1 variants for gene-editing applications | Daskalakis, Vangelis ; Papapetros, Spyridon |
| 13-Apr-2012 | Exploring the topography of free energy surfaces and kinetics of cytochrome c oxidases interacting with small ligands | Porrini, Massimiliano ; Farantos, Stavros C. ; Daskalakis, Vangelis ; Porrini, Massimiliano |
| 1-Dec-2019 | Fine tuning of the photosystem II major antenna mobility within the thylakoid membrane of higher plants | Daskalakis, Vangelis ; Papadatos, Sotiris ; Kleinekathöfer, Ulrich |
| 1-Jul-2022 | From Traditional Ethnopharmacology to Modern Natural Drug Discovery: A Methodology Discussion and Specific Examples | Pirintsos, Stergios ; Panagiotopoulos, Athanasios ; Bariotakis, Michalis ; Daskalakis, Vangelis ; Lionis, Christos D. ; Sourvinos, George ; Karakasiliotis, Ioannis ; Kampa, Marilena ; Castanas, Elias |
| Jul-2015 | Globin Nitrito Heme Fe-O-N=O/ 2-Nitrovinyl Species: Impications for Myoglobin Helices Dynamics | Daskalakis, Vangelis ; Pinakoulaki, Eftychia |
| 2012 | Grid computing multiple shooting algorithms for extended phase space sampling and long time propagation in molecular dynamics | Daskalakis, Vangelis ; Giatromanolakis, Manos ; Porrini, Massimiliano ; Farantos, Stavros C. ; Gervasi, Osvaldo |
| 3-Sep-2009 | Heme cavity dynamics of photodissociated CO from ba3-Cytochrome c oxidase : the role of ring-D propionate | Porrini, Massimiliano ; Daskalakis, Vangelis ; Farantos, Stavros C. ; Varotsis, Constantinos |
| 7-Sep-2014 | Hexagonal ice stability and growth in the presence of glyoxal and secondary organic aerosols | Daskalakis, Vangelis ; Hadjicharalambous, Marios |
| 20-Jul-2021 | Hydrogen gas as a central on-off functional switch of reversible metabolic arrest - New perspectives for biotechnological applications | Zerveas, Sotirios ; Kydonakis, Evaggelos ; Mente, Melpomeni-Sofia ; Daskalakis, Vangelis ; Kotzabasis, Kiriakos |
| Sep-2014 | Ice 1h crystal stability and growth in the presence of glyoxal Secondary Organic Aerosol and Carbon Dioxide | Daskalakis, Vangelis ; Hadjicharalambous, Marios ; Charalambous, Fevronia |
| 28-Mar-2021 | Multiscale QM/MM molecular dynamics simulations of the trimeric major light-harvesting complex II | Maity, Sayan ; Daskalakis, Vangelis ; Elstner, Marcus ; Kleinekathöfer, Ulrich |
| 1-Oct-2021 | Natural polyphenols inhibit the dimerization of the sars-cov-2 main protease: The case of fortunellin and its structural analogs | Panagiotopoulos, Athanasios ; Karakasiliotis, Ioannis ; Kotzampasi, Danai Maria ; Dimitriou, Marios ; Sourvinos, George ; Kampa, Marilena ; Pirintsos, Stergios ; Castanas, Elias ; Daskalakis, Vangelis |
| 1-Jan-2017 | Nitrite coordination in myoglobin | Ioannou, Androulla ; Lambrou, Alexandra ; Daskalakis, Vangelis ; Pinakoulaki, Eftychia |
| 3-May-2012 | Non-linear Vibrational Modes in Biomolecules: a Periodic Orbits Description | Farantos, Stavros C. ; Kampanarakis, Alexandros ; Varotsis, Constantinos ; Daskalakis, Vangelis ; Farantos, Stavros C. ; Kampanarakis, Alexandros |
| 1-Oct-2019 | On a chlorophyll-caroteinoid coupling in LHCII | Maity, Sayan ; Gelessus, Achim ; Daskalakis, Vangelis ; Kleinekathöfer, Ulrich |
| Apr-2012 | The origin of the FeIV = O intermediates in cytochrome aa3 oxidase | Varotsis, Constantinos ; Pinakoulaki, Eftychia ; Daskalakis, Vangelis |
