Manthos G. Papadopoulos

Publication Activity (10 Years)

Years Active: 1999-2014
Publications (10 Years): 0

Top Topics

Drug Resistance

Quantitative And Qualitative

Linear Relationship

Top Venues

J. Comput. Chem.

J. Chem. Inf. Model.

Publications

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) (2014)
Panaghiotis Karamanis, Nicolás Otero, Claude Pouchan, Juan José Torres, William Tiznado, Aggelos Avramopoulos, Manthos G. Papadopoulos
and density functional study. J. Comput. Chem. 35 (11) (2014)
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) (2013)
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) (2013)
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) (2013)
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) (2012)
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) (2012)
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) (2012)
Heribert Reis, Oleksandr Loboda, Aggelos Avramopoulos, Manthos G. Papadopoulos, Bernard Kirtman, Josep M. Luis, Robert Zalesny
. J. Comput. Chem. 32 (5) (2011)
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) (2011)
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
Docking, and Molecular Dynamics Simulations. J. Chem. Inf. Model. 49 (3) (2009)
Serdar Durdagi, Claudiu T. Supuran, T. Amanda Strom, Nadjmeh Doostdar, Mananjali K. Kumar, Andrew R. Barron, Thomas M. Mavromoustakos, Manthos G. Papadopoulos
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) (2009)
Heribert Reis, Manthos G. Papadopoulos
Nonlinear optical properties of the rhombic B4-cluster. J. Comput. Chem. 20 (7) (1999)