Thomas M. Mavromoustakos
Orcid: 0000-0001-5309-992X
According to our database1,
Thomas M. Mavromoustakos
authored at least 13 papers
between 2008 and 2018.
Collaborative distances:
Collaborative distances:
Timeline
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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