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Computational Drug Design and Synthesis - Biophysical Chemistry - Computational Organic Chemistry

CONFERENCE PAPERS

1. Kolocouris, A.; Zervou, M.; Mavromoustakos, T.; Roumelioti, P.; Tselios, T.; Matsoukas, J.; Humpher, E.

Conformational analysis of peptidic and peptidomimetic ATII antagonists using a combination of NMR spectroscopy and theoretical calculations.

Bioactive Peptides in Drug Discovery and Design: Medical Aspects, Biomedical and Health Research Series, ΙΟS Press, (1999) Vol. 1, pp. 3-12.

2. Kolocouris, N.;Kolocouris, A.; Foscolos, G. B.; Fytas, G.; Padalko, E.; Neyts, J.; DeClercq, E.

In Searching for New Anti-Influenza A Drugs: Heterocyclic and Carbocyclic Aminoadamantanes Bearing a 2-Adamantyl Group With Potent Activity Against Influenza A Virus

Drug Discovery and Design: Medical Aspects, Biomedical and Health Research, ΙΟS Press, (2002), Vol. 55, pp. 103-115.


3. Vrontaki, E.; Kolocouris, A.

Pharmacophore Generation and 3D-QSAR Model Development Using PHASE.

Methods Mol Biol. 2018, 1824, 387-401.


4. Lagarias, P.; Elkhou, Y.; Vedad, J.; Konstantinidi, A.; Profit,  A. A.; Kellici, T. F.; Kolocouris, A.; Desamero, R. Z. B.; Mavromoustakos, T.*

Molecular Dynamics Simulations on the Bioactive Molecule of hIAPP22-29 (NFGAILSS) and Rational Drug Design.

Methods Mol Biol.2018, 1824, 1-16.


5. Kiriakidi, S.; Kolocouris, A.; Liapakis, G.; Ikram, S.; Durdagi, T. Mavromoustakos.

Effects of Cholesterol on GPCR Function: Insights from Computational and Experimental Studies.

Advances in Experimental Medicine and Biology 2019, 1135.


6. Stylianakis, I.; Kolocouris, A.*

The role of dispersion forces - Part 1: structure of organic molecules using the textbook 1,3-axial cyclohexane interactions as model

Methods Mol Biol.2025, accepted for publication.


7. Stylianakis, I.; Kolocouris, A.*

The role of dispersion forces - Part 2: transmembrane peptide folding of viroporin influenza A M2.

Methods Mol Biol.2025, accepted for publication.


8.Stylianakis, I.; Kolocouris, A.*

Mechanistic insights into homogeneous gold(I)-catalyzed reactions of π-systems using Density Functional Theory calculations.

Methods Mol Biol.2025, accepted for publication.


 9. Georgiou, K.; Kolocouris, A.*

Biophysical methods for studying the adamantyl amine-lipid-influenza A M2 protein channel system.

“Computational Modeling of Biomolecular Interactions: Methods and Applications” (9781394316601), Wiley, 2025, Ed. Yinglong Miao 

Accepted for publication.