Haralambos Tzoupis

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

Haralambos Tzoupis, Georgios Leonis, Thomas Mavromoustakos · Journal of Chemical Theory and Computation · 2013 · 51 citations · Full text

Life Sciences, Infectious Diseases, Molecular Biology +17

Binding of novel fullerene inhibitors to HIV-1 protease: insight through molecular dynamics and molecular mechanics Poisson–Boltzmann surface area calculations

Haralambos Tzoupis, Georgios Leonis, Serdar Durdağı et al. · Journal of Computer-Aided Molecular Design · 2011 · 47 citations

Natural Sciences, Chemistry, Medicinal Chemistry +14

Dual Inhibitors for Aspartic Proteases HIV-1 PR and Renin: Advancements in AIDS–Hypertension–Diabetes Linkage via Molecular Dynamics, Inhibition Assays, and Binding Free Energy Calculations

Haralambos Tzoupis, Georgios Leonis, Grigorios Megariotis et al. · Journal of Medicinal Chemistry · 2012 · 42 citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +17

Systematic Molecular Dynamics, MM–PBSA, and Ab Initio Approaches to the Saquinavir Resistance Mechanism in HIV-1 PR Due to 11 Double and Multiple Mutations

Haralambos Tzoupis, Georgios Leonis, Aggelos Avramopoulos et al. · The Journal of Physical Chemistry B · 2014 · 15 citations

Life Sciences, Biology, Molecular Biology +17

Design and Synthesis of Non-Peptide Mimetics Mapping the Immunodominant Myelin Basic Protein (MBP83–96) Epitope to Function as T-Cell Receptor Antagonists

Mary-Patricia Yannakakis, Carmen Simal, Haralambos Tzoupis et al. · International Journal of Molecular Sciences · 2017 · 15 citations · Full text

Life Sciences, Immunology, Medicinal Chemistry +17