Thomas M. Mavromoustakos

Publication Activity (10 Years)

Years Active: 2008-2018
Publications (10 Years): 2

Top Topics

Molecular Dynamics

Protein Interaction

Top Venues

J. Chem. Inf. Model.

PLoS Comput. Biol.

Publications

Panagiotis Lagarias, Eleni Vrontaki, George Lambrinidis, Dimitrios Stamatis, Marino Convertino, Gabriella Ortore, Thomas M. Mavromoustakos, Karl Norbert Klotz, Antonios Kolocouris
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. 58 (4) (2018)
Georgia Melagraki, Evangelos Ntougkos, Vagelis Rinotas, Christos Papaneophytou, Georgios Leonis, Thomas M. Mavromoustakos, George Kontopidis, Eleni Douni, Antreas Afantitis, George Kollias
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. 13 (4) (2017)
Eleni Vrontaki, Georgios Leonis, Manthos G. Papadopoulos, M. Simcic, Simona Golic Grdadolnik, Antreas Afantitis, Georgia Melagraki, S. K. Hadjikakou, Thomas M. Mavromoustakos
Comparative Binding Effects of Aspirin and Anti-Inflammatory Cu Complex in the Active Site of LOX-1. J. Chem. Inf. Model. 52 (12) (2012)
Varnavas D. Mouchlis, Georgia Melagraki, Thomas M. Mavromoustakos, George Kollias, Antreas Afantitis
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. 52 (3) (2012)
Varnavas D. Mouchlis, Vasiliki Michopoulou, Violetta Constantinou-Kokotou, Thomas M. Mavromoustakos, Edward A. Dennis, George Kokotos
Determined by Molecular Docking Combined with Molecular Dynamics. J. Chem. Inf. Model. 52 (1) (2012)
Constantinos Potamitis, Minos-Timotheos Matsoukas, Theodore V. Tselios, Thomas M. Mavromoustakos, Simona Golic Grdadolnik
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. 25 (9) (2011)
Haralambos Tzoupis, Georgios Leonis, Serdar Durdagi, Varnavas D. Mouchlis, Thomas M. Mavromoustakos, Manthos G. Papadopoulos
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. 25 (10) (2011)
George Agelis, Panagiota Roumelioti, Amalia Resvani, Serdar Durdagi, Maria-Eleni Androutsou, Konstantinos Kelaidonis, Demetrios Vlahakos, Thomas M. Mavromoustakos, John Matsoukas
Angiotensin II receptor antagonist: reorientation of imidazole pharmacophore groups in losartan reserves high receptor affinity and confirms docking studies. J. Comput. Aided Mol. Des. 24 (9) (2010)
Varnavas D. Mouchlis, Thomas M. Mavromoustakos, George Kokotos
. J. Chem. Inf. Model. 50 (9) (2010)
Varnavas D. Mouchlis, Thomas M. Mavromoustakos, George Kokotos
inhibitors based on docking calculations by modifying the pharmacophore segments of the FPL67047XX inhibitor. J. Comput. Aided Mol. Des. 24 (2) (2010)
Constantinos Potamitis, Maria Zervou, Vassilis Katsiaras, Panagiotis Zoumpoulakis, Serdar Durdagi, Manthos G. Papadopoulos, Joseph M. Hayes, Simona Golic Grdadolnik, Ioanna Kyrikou, Dimitris Argyropoulos, Georgia Vatougia, Thomas M. Mavromoustakos
Docking, and Molecular Dynamics Simulations. J. Chem. Inf. Model. 49 (3) (2009)
Serdar Durdagi, Claudiu T. Supuran, T. Amanda Strom, Nadjmeh Doostdar, Mananjali K. Kumar, Andrew R. Barron, Thomas M. Mavromoustakos, Manthos G. Papadopoulos
Drug Screening Approach for the Design of Magic Bullets: A Successful Example with Anti-HIV Fullerene Derivatized Amino Acids. J. Chem. Inf. Model. 49 (5) (2009)
Agnes Kapou, Nikolas-P. Benetis, Serdar Durdagi, Sotiris Nikolaropoulos, Thomas M. Mavromoustakos
3D QSAR/CoMFA and CoMSIA Studies on Antileukemic Steroidal Esters Coupled with Conformationally Flexible Nitrogen Mustards. J. Chem. Inf. Model. 48 (11) (2008)