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.

Timeline

Legend:

Book 
In proceedings 
Article 
PhD thesis 
Other 

Links

Online presence:

On csauthors.net:

Bibliography

2018
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

2017
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

2012
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

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

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

2010
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

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

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


  Loading...