Thomas M. Mavromoustakos

According to our database1, Thomas M. Mavromoustakos authored at least 13 papers between 2008 and 2018.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.



In proceedings 
PhD thesis 


Online presence:



Discovery of Novel Adenosine Receptor Antagonists through a Combined Structure- and Ligand-Based Approach Followed by Molecular Dynamics Investigation of Ligand Binding Mode.
J. Chem. Inf. Model., 2018

Cheminformatics-aided discovery of small-molecule Protein-Protein Interaction (PPI) dual inhibitors of Tumor Necrosis Factor (TNF) and Receptor Activator of NF-κB Ligand (RANKL).
PLoS Comput. Biol., 2017

Comparative Binding Effects of Aspirin and Anti-Inflammatory Cu Complex in the Active Site of LOX-1.
J. Chem. Inf. Model., 2012

Molecular Modeling on Pyrimidine-Urea Inhibitors of TNF-α Production: An Integrated Approach Using a Combination of Molecular Docking, Classification Techniques, and 3D-QSAR CoMSIA.
J. Chem. Inf. Model., 2012

Binding Conformation of 2-Oxoamide Inhibitors to Group IVA Cytosolic Phospholipase A<sub>2</sub> Determined by Molecular Docking Combined with Molecular Dynamics.
J. Chem. Inf. Model., 2012

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

Conformational analysis of the ΜΒΡ83-99 (Phe91) and ΜΒΡ83-99 (Tyr91) peptide analogues and study of their interactions with the HLA-DR2 and human TCR receptors by using Molecular Dynamics.
J. Comput. Aided Mol. Des., 2011

Molecular Docking and 3D-QSAR CoMFA Studies on Indole Inhibitors of GIIA Secreted Phospholipase A<sub>2</sub>.
J. Chem. Inf. Model., 2010

Design of new secreted phospholipase A<sub>2</sub> inhibitors based on docking calculations by modifying the pharmacophore segments of the FPL67047XX inhibitor.
J. Comput. Aided Mol. Des., 2010

An efficient synthesis of a rationally designed 1, 5 disubstituted imidazole AT<sub>1</sub> Angiotensin II receptor antagonist: reorientation of imidazole pharmacophore groups in losartan reserves high receptor affinity and confirms docking studies.
J. Comput. Aided Mol. Des., 2010

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

3D QSAR/CoMFA and CoMSIA Studies on Antileukemic Steroidal Esters Coupled with Conformationally Flexible Nitrogen Mustards.
J. Chem. Inf. Model., 2008