Manthos G. Papadopoulos
According to our database1,
Manthos G. Papadopoulos
authored at least 14 papers
between 1998 and 2014.
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Bibliography
2014
Elucidation of Conformational States, Dynamics, and Mechanism of Binding in Human κ-Opioid Receptor Complexes.
J. Chem. Inf. Model., 2014
Significant nonlinear-optical switching capacity in atomic clusters built from silicon and lithium: A combined <i>ab initio</i> and density functional study.
J. Comput. Chem., 2014
2013
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., 2013
Performance of density functional theory in computing nonresonant vibrational (hyper)polarizabilities.
J. Comput. Chem., 2013
On the Vibrational linear and nonlinear optical properties of compounds involving noble gas atoms: HXeOXeH, HXeOXeF, and FXeOXeF.
J. Comput. Chem., 2013
2012
Comparative Binding Effects of Aspirin and Anti-Inflammatory Cu Complex in the Active Site of LOX-1.
J. Chem. Inf. Model., 2012
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., 2012
Structural and static electric response properties of highly symmetric lithiated silicon cages: Theoretical predictions.
J. Comput. Chem., 2012
2011
Electronic and vibrational linear and nonlinear polarizabilities of Li@C<sub>60</sub> and [Li@C<sub>60</sub>]<sup>+</sup>.
J. Comput. Chem., 2011
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., 2011
2009
Antihypertensive Drug Valsartan in Solution and at the AT<sub>1</sub> Receptor: Conformational Analysis, Dynamic NMR Spectroscopy, <i>in Silico</i> Docking, and Molecular Dynamics Simulations.
J. Chem. Inf. Model., 2009
<i>In Silico</i> Drug Screening Approach for the Design of Magic Bullets: A Successful Example with Anti-HIV Fullerene Derivatized Amino Acids.
J. Chem. Inf. Model., 2009
1999
1998
J. Comput. Chem., 1998