| Τύπος | Ημερομηνία | Τίτλος | Δημιουργός | Πλήρες κείμενο |
| 2008 | 3D QSAR CoMFA/CoMSIA, molecular docking and molecular dynamics studies of fullerene-based HIV-1 PR inhibitors | Durdagi, Serdar; Μαυρομούστακος, Θωμάς; Παπαδόπουλος, Μάνθος Γ. | |
| 2009 | N-2(C-3 Pi(u)) -> N-2(B-3 Pi(g))+hv fluorescence increase due to collisional intermolecular energy transfer induced by discharged O-2 in active nitrogen and oxygen mixtures | Καμαράτος, Ευστάθιος | |
| 2011 | Docking and Molecular Dynamics Calculations of Pyrrolidinone Analog MMK16 Bound to COX and LOX Enzymes | Neophytou, N.; Leonis, G.; Stavrinoudakis, N.; Simcic, M.; Grdadolnik, S. Golic; Papavassilopoulou, E.; Michas, G.; Moutevelis-Minakakis, P.; Παπαδόπουλος, Μάνθος Γ.; Zing, M.; Μαυρομούστακος, Θωμάς | |
| 2011 | Comparison of thermal effects of stilbenoid analogs in lipid bilayers using differential scanning calorimetry and molecular dynamics: correlation of thermal effects and topographical position with antioxidant activity | Koukoulitsa, Catherine; Durdagi, Serdar; Σιάπη, Ελένη; Βιλλιαλονγκα-Μπαρμπέρ, Καρολίνα; Alexi, Xanthippi; Στηλ, Μπάρυ; Μίχα-Σκρέττα, Μαρία; Αλέξης, Μιχαήλ Ν.; Tsantili-Kakoulidou, Anna; Μαυρομούστακος, Θωμάς | |
| 2011 | Binding of novel fullerene inhibitors to HIV-1 protease: insight through molecular dynamics and molecular mechanics Poisson-Boltzmann surface area calculations | Tzoupis, Haralambos; Leonis, Georgios; Durdagi, Serdar; Mouchlis, Varnavas; Μαυρομούστακος, Θωμάς; Παπαδόπουλος, Μάνθος Γ. | |
| 2011 | Conformational Properties and Energetic Analysis of Aliskiren in Solution and Receptor Site | Politi, Aggeliki; Leonis, Georgios; Tzoupis, Haralambos; Ntountaniotis, Dimitrios; Παπαδόπουλος, Μάνθος Γ.; Grdadolnik, Simona Golic; Μαυρομούστακος, Θωμάς | |
| 2016 | BNN27, a 17-spiroepoxy steroid derivative, interacts with and activates p75 neurotrophin receptor, rescuing cerebellar granule neurons from apoptosis | Pediaditakis I.; Kourgiantaki A.; Prousis K.C.; Potamitis C.; Xanthopoulos K.P.; Zervou M.; Calogeropoulou T.; Charalampopoulos I.; Gravanis A. | |
| 2016 | Development of a potent 2-oxoamide inhibitor of secreted phospholipase A2 guided by molecular docking calculations and molecular dynamics simulations | Vasilakaki S.; Barbayianni E.; Leonis G.; Papadopoulos M.G.; Mavromoustakos T.; Gelb M.H.; Kokotos G. | |
| 2016 | Structure and dynamics of Water-Smectite interfaces: Hydrogen bonding and the origin of the sharp O-Dw/O-Hw infrared band from molecular simulations | Szczerba M.; Kuligiewicz A.; Derkowski A.; Gionis V.; Chryssikos G.D.; Kalinichev A.G. | |
| 2017 | Handbook of computational chemistry | Leszczynski J.; Kaczmarek-Kedziera A.; Puzyn T.; Papadopoulos M.G.; Reis H.; Shukla M.K. | |
| 2017 | Molecular dynamics study of structural reorganization by electro-thermal poling in sodium diborate glass | Vegiri A.; Kamitsos E.I. | |
| 2019 | Glass transition and molecular dynamics in PHPMA-b-POEGMA block copolymers | Karatza A.; Klonos P.; Pispas S.; Kyritsis A. | |
| 2019 | Electric properties of hydrated uracil: From micro- to macrohydration | Hrivnák T.; Budzák Š.; Reis H.; Zaleśny R.; Carbonnière P.; Medveď M. | |
| 2020 | Hydration structure and dynamics of the favipiravir antiviral drug: A molecular modelling approach | Skarmoutsos, Ioannis; Maurin, Guillaume; Guardia, Elvira; Samios, Jannis | |
| 2020 | Solvation structure and dynamics of the dimethylammonium cation diluted in liquid water: A molecular dynamics approach | Skarmoutsos, Ioannis; Guardia, Elvira | |
| 2021 | Molecular dynamics and crystallization in polymers based on ethylene glycol methacrylates (EGMAs) with melt memory characteristics: from linear oligomers to comb-like polymers | Vassiliadou, Olga; Chrysostomou, Varvara; Pispas, Stergios; Klonos, Panagiotis A; Kyritsis, Apostolos | |
| 2021 | Uniaxially Strained Graphene: Structural Characteristics and G-Mode Splitting | Kalosakas, George; Lathiotakis, Nektarios N.; Papagelis, Konstantinos | |
| 2022 | Molecular investigation of artificial and natural sweeteners as potential anti-inflammatory agents | Chontzopoulou, Eleni; Papaemmanouil, Christina D; Chatziathanasiadou, Maria V; Kolokouris, Dimitrios; Kiriakidi, Sofia; Konstantinidi, Athina; Gerogianni, Ioanna; Tselios, Theodore; Kostakis, Ioannis K; Chrysina, Evangelia D. ; Hadjipavlou-Litina, Dimitra; Tzeli, Demeter; Tzakos, Andreas G; Mavromoustakos, Thomas | |
| 2022 | Uniaxially Strained Graphene: Structural Characteristics and G-Mode Splitting | Kalosakas, G.; Lathiotakis, N.N.; Papagelis, K. | |
| 2022 | Losartan Interactions with 2-Hydroxypropyl-β-CD | Palli, Vasiliki; Leonis, Georgios; Zoupanou, Nikoletta; Georgiou, Nikitas; Chountoulesi, Maria; Naziris, Nikolaos; Tzeli, Demeter; Demetzos, Costas; Valsami, Georgia; Marousis, Konstantinos D; Spyroulias, Georgios A; Μαυρομούστακος, Θωμάς | |
