Manthos G. Papadopoulos

13 papers Journal 13
YearRankTypeTitle / Venue / Authors
2014 J jnl
Elucidation of Conformational States, Dynamics, and Mechanism of Binding in Human κ-Opioid Receptor Complexes.
J. Chem. Inf. Model.
Georgios Leonis, Aggelos Avramopoulos, Ramin Ekhteiari Salmas, Serdar Durdagi, Mine Yurtsever, Manthos G. Papadopoulos
2014 J jnl
Significant nonlinear-optical switching capacity in atomic clusters built from silicon and lithium: A combined
J. Comput. Chem.
Panaghiotis Karamanis, Nicolás Otero, Claude Pouchan, Juan José Torres, William Tiznado, Aggelos Avramopoulos, Manthos G. Papadopoulos
2013 J jnl
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.
Georgios Leonis, Thomas Steinbrecher, Manthos G. Papadopoulos
2013 J jnl
On the Vibrational linear and nonlinear optical properties of compounds involving noble gas atoms: HXeOXeH, HXeOXeF, and FXeOXeF.
J. Comput. Chem.
Aggelos Avramopoulos, Heribert Reis, Josep M. Luis, Manthos G. Papadopoulos
2013 J jnl
Performance of density functional theory in computing nonresonant vibrational (hyper)polarizabilities.
J. Comput. Chem.
Ireneusz W. Bulik, Robert Zalesny, Wojciech Bartkowiak, Josep M. Luis, Bernard Kirtman, Gustavo E. Scuseria, Aggelos Avramopoulos, Heribert Reis, Manthos G. Papadopoulos
2012 J jnl
Comparative Binding Effects of Aspirin and Anti-Inflammatory Cu Complex in the Active Site of LOX-1.
J. Chem. Inf. Model.
Eleni Vrontaki, Georgios Leonis, Manthos G. Papadopoulos, M. Simcic, Simona Golic Grdadolnik, Antreas Afantitis, Georgia Melagraki, S. K. Hadjikakou, Thomas M. Mavromoustakos
2012 J jnl
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.
Georgios Leonis, Zaneta Czyznikowska, Grigorios Megariotis, Heribert Reis, Manthos G. Papadopoulos
2012 J jnl
Structural and static electric response properties of highly symmetric lithiated silicon cages: Theoretical predictions.
J. Comput. Chem.
Emmanuel N. Koukaras, Aristides D. Zdetsis, Panaghiotis Karamanis, Claude Pouchan, Aggelos Avramopoulos, Manthos G. Papadopoulos
2011 J jnl
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.
Haralambos Tzoupis, Georgios Leonis, Serdar Durdagi, Varnavas D. Mouchlis, Thomas M. Mavromoustakos, Manthos G. Papadopoulos
2011 J jnl
Electronic and vibrational linear and nonlinear polarizabilities of Li@C
J. Comput. Chem.
Heribert Reis, Oleksandr Loboda, Aggelos Avramopoulos, Manthos G. Papadopoulos, Bernard Kirtman, Josep M. Luis, Robert Zalesny
2009 J jnl
Antihypertensive Drug Valsartan in Solution and at the AT
J. Chem. Inf. Model.
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
1999 J jnl
Nonlinear optical properties of the rhombic B4-cluster.
J. Comput. Chem.
Heribert Reis, Manthos G. Papadopoulos
1998 J jnl
Static and frequency dependent polarizabilities and hyperpolarizabilities of H2Sn.
J. Comput. Chem.
S. G. Raptis, S. M. Nasiou, Ioannis N. Demetropoulos, Manthos G. Papadopoulos