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| Issue Date | Title | Author(s) |
| 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 |
| Aug-2021 | p-cymene impairs SARS-CoV-2 and Influenza A (H1N1) viral replication: In silico predicted interaction with SARS-CoV-2 nucleocapsid protein and H1N1 nucleoprotein | Panagiotopoulos, Athanasios ; Tseliou, Melpomeni ; Karakasiliotis, Ioannis ; Kotzampasi, Danai Maria ; Daskalakis, Vangelis ; Kesesidis, Nikolaos ; Notas, George ; Lionis, Christos D. ; Kampa, Marilena ; Pirintsos, Stergios ; Sourvinos, George ; Castanas, Elias |
| 31-May-2017 | A pathway for protective quenching in antenna proteins of Photosystem II | Papadatos, Sotiris ; Charalambous, Andreas ; Daskalakis, Vangelis |
| Apr-2023 | A perspective on the major light-harvesting complex dynamics under the effect of pH, salts, and the photoprotective PsbS protein | Navakoudis, Eleni ; Stergiannakos, Taxiarchis ; Daskalakis, Vangelis |
| Sep-2017 | The Photosystem II Subunit S Dynamics under stress | Daskalakis, Vangelis ; Papadatos, Sotiris |
| 5-Dec-2017 | The Photosystem II Subunit S under Stress | Daskalakis, Vangelis ; Papadatos, Sotiris |
| 1-Apr-2014 | Probing the Action of Cytochrome c Oxidase | Daskalakis, Vangelis ; Varotsis, Constantinos |
| Aug-2011 | Probing the effect of the proximal and distal to the heme a3 environments in the Cytochrome c Oxidase dioxygen reaction | Daskalakis, Vangelis ; Varotsis, Constantinos |
| Dec-2013 | Probing the Effects of Atmospheric Pollu-tants on Ice Nucleation | Daskalakis, Vangelis ; Hadjicharalambous, Marios |
| 14-Aug-2007 | Probing the environment of Cu B in heme-copper oxidases | Pinakoulaki, Eftychia ; Varotsis, Constantinos ; Daskalakis, Vangelis ; Pinakoulaki, Eftychia |
| 2007 | Protein dynamics and spectroscopy for ferryl intermediate of cytochrome c oxidase: a molecular dynamics approach | Farantos, Stavros C. ; Varotsis, Constantinos ; Daskalakis, Vangelis ; Farantos, Stavros C. |
| 30-May-2013 | The protein effect in the structure of two ferryl-oxo intermediates at the same oxidation level in the heme copper binuclear center of cytochrome c oxidase | Pinakoulaki, Eftychia ; Daskalakis, Vangelis ; Ohta, Takehiro ; Richter, Oliver Matthias H ; Budiman, Kerstin ; Kitagawa, Teizo ; Ludwig, Bernd ; Varotsis, Constantinos |
| 7-May-2018 | Protein–protein interactions within photosystem II under photoprotection: the synergy between CP29 minor antenna, subunit S (PsbS) and zeaxanthin at all-atom resolution | Daskalakis, Vangelis |
| Jun-2010 | QM/MM Calculations on Cyto-chrome c Oxidase: Probing of electron and proton pump coupling | Daskalakis, Vangelis ; Farantos, Stavros C. ; Guallar, Victor ; Varotsis, Constantinos |
| 2022 | Recognition motifs for importin 4 [(L)PPRS(G/P)P] and importin 5 [KP(K/Y)LV] binding, identified by bio-informatic simulation and experimental in vitro validation | Panagiotopoulos, Athanasios ; Kalyvianaki, Konstantina ; Tsodoulou, Paraskevi K ; Darivianaki, Maria N ; Dellis, Dimitris ; Notas, George ; Daskalakis, Vangelis ; Theodoropoulos, Panayiotis A ; Panagiotidis, Christos Α ; Castanas, Elias ; Kampa, Marilena |
