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Publications by Manthos G. Papadopoulos
A Comparative Molecular Dynamics, MM–PBSA and Thermodynamic Integration Study of Saquinavir Complexes With Wild-Type HIV-1 PR and L10I, G48V, L63P, A71V, G73S, V82A and I84V Single Mutants
Journal of Chemical Theory and Computation
Theoretical Chemistry
Computer Science Applications
Physical
Linear and Nonlinear Optical Properties of Some Organoxenon Derivatives
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
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Structures and Functions of the HIV-1 Pre-Integration Complexes
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Toward the First Nonpeptidic Molecular Tong Inhibitor of Wild-Type and Mutated HIV-1 Protease Dimerization
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1P255 Molecular Dynamics Simulation of the Wild-Type and Mutated LOV2 Domains
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Making Classical and Hybrid (QM/MM) Molecular Dynamics Easy and Fast With QwikMD
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Application of MM-PBSA Methods in Virtual Screening
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Pharmaceutical Science
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Spectroscopic and Thermodynamic Study of Chrysin and Quercetin Complexes With Cu(II)
Thermodynamic Evaluation of Energy Integration and Cogeneration in Ammonium Nitrate Production Complexes
International Journal of Applied Thermodynamics
Engineering
Condensed Matter Physics
