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ORCIDManthos G. Papadopoulos
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2010 – 2019
- 2014
[j14]Panaghiotis Karamanis
, Nicolás Otero, Claude Pouchan, Juan José Torres, William Tiznado, Aggelos Avramopoulos, Manthos G. Papadopoulos:
Significant nonlinear-optical switching capacity in atomic clusters built from silicon and lithium: A combined ab initio and density functional study. J. Comput. Chem. 35(11): 829-838 (2014)- [j13]Georgios Leonis, Aggelos Avramopoulos, Ramin Ekhteiari Salmas, Serdar Durdagi, Mine Yurtsever, Manthos G. Papadopoulos:
Elucidation of Conformational States, Dynamics, and Mechanism of Binding in Human κ-Opioid Receptor Complexes. J. Chem. Inf. Model. 54(8): 2294-2308 (2014) - 2013
- [j12]Aggelos Avramopoulos, Heribert Reis, Josep M. Luis, Manthos G. Papadopoulos:
On the Vibrational linear and nonlinear optical properties of compounds involving noble gas atoms: HXeOXeH, HXeOXeF, and FXeOXeF. J. Comput. Chem. 34(17): 1446-1455 (2013) - [j11]Ireneusz W. Bulik, Robert Zalesny, Wojciech Bartkowiak, Josep M. Luis, Bernard Kirtman, Gustavo E. Scuseria, Aggelos Avramopoulos, Heribert Reis, Manthos G. Papadopoulos:
Performance of density functional theory in computing nonresonant vibrational (hyper)polarizabilities. J. Comput. Chem. 34(20): 1775-1784 (2013) - [j10]Georgios Leonis, Thomas Steinbrecher, Manthos G. Papadopoulos:
A Contribution to the Drug Resistance Mechanism of Darunavir, Amprenavir, Indinavir, and Saquinavir Complexes with HIV-1 Protease Due to Flap Mutation I50V: A Systematic MM-PBSA and Thermodynamic Integration Study. J. Chem. Inf. Model. 53(8): 2141-2153 (2013) - 2012
- [j9]Emmanuel N. Koukaras, Aristides D. Zdetsis, Panaghiotis Karamanis, Claude Pouchan, Aggelos Avramopoulos, Manthos G. Papadopoulos:
Structural and static electric response properties of highly symmetric lithiated silicon cages: Theoretical predictions. J. Comput. Chem. 33(10): 1068-1079 (2012) - [j8]Georgios Leonis, Zaneta Czyznikowska, Grigorios Megariotis, Heribert Reis, Manthos G. Papadopoulos:
Computational Studies of Darunavir into HIV-1 Protease and DMPC Bilayer: Necessary Conditions for Effective Binding and the Role of the Flaps. J. Chem. Inf. Model. 52(6): 1542-1558 (2012) - [j7]Eleni Vrontaki, Georgios Leonis, Manthos G. Papadopoulos, M. Simcic, Simona Golic Grdadolnik, Antreas Afantitis, Georgia Melagraki, S. K. Hadjikakou, Thomas M. Mavromoustakos:
Comparative Binding Effects of Aspirin and Anti-Inflammatory Cu Complex in the Active Site of LOX-1. J. Chem. Inf. Model. 52(12): 3293-3301 (2012) - 2011
- [j6]Haralambos Tzoupis, Georgios Leonis, Serdar Durdagi, Varnavas D. Mouchlis, Thomas M. Mavromoustakos, Manthos G. Papadopoulos:
Binding of novel fullerene inhibitors to HIV-1 protease: insight through molecular dynamics and molecular mechanics Poisson-Boltzmann surface area calculations. J. Comput. Aided Mol. Des. 25(10): 959-976 (2011) - [j5]Heribert Reis, Oleksandr Loboda, Aggelos Avramopoulos, Manthos G. Papadopoulos, Bernard Kirtman, Josep M. Luis, Robert Zalesny:
Electronic and vibrational linear and nonlinear polarizabilities of Li@C60 and [Li@C60]+. J. Comput. Chem. 32(5): 908-914 (2011)
2000 – 2009
- 2009
- [j4]Constantinos Potamitis, Maria Zervou, Vassilis Katsiaras, Panagiotis Zoumpoulakis, Serdar Durdagi, Manthos G. Papadopoulos, Joseph M. Hayes, Simona Golic Grdadolnik, Ioanna Kyrikou, Dimitris Argyropoulos, Georgia Vatougia, Thomas M. Mavromoustakos:
Antihypertensive Drug Valsartan in Solution and at the AT1 Receptor: Conformational Analysis, Dynamic NMR Spectroscopy, in Silico Docking, and Molecular Dynamics Simulations. J. Chem. Inf. Model. 49(3): 726-739 (2009) - [j3]Serdar Durdagi, Claudiu T. Supuran, T. Amanda Strom, Nadjmeh Doostdar, Mananjali K. Kumar, Andrew R. Barron, Thomas M. Mavromoustakos, Manthos G. Papadopoulos:
In Silico Drug Screening Approach for the Design of Magic Bullets: A Successful Example with Anti-HIV Fullerene Derivatized Amino Acids. J. Chem. Inf. Model. 49(5): 1139-1143 (2009)
1990 – 1999
- 1999
- [j2]Heribert Reis, Manthos G. Papadopoulos:
Nonlinear optical properties of the rhombic B4-cluster. J. Comput. Chem. 20(7): 679-687 (1999) - 1998
- [j1]S. G. Raptis, S. M. Nasiou, Ioannis N. Demetropoulos, Manthos G. Papadopoulos:
Static and frequency dependent polarizabilities and hyperpolarizabilities of H2Sn. J. Comput. Chem. 19(15): 1698-1715 (1998)
Coauthor Index
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