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» Presentations
Conformational Rearrangements Triggering GTP Hydrolysis in EF-Tu
Cifci, G., Gul, S. Isık, M., Ercan, S.,
Aviyente, V.
, Bilgin, N., Balta, B., 4th International BAU Drug Design Congress, Istanbul, Turkey,
October 13-15, 2016
Assessing the Ligand-Protein Binding Modes with Computational Tools
Çifci Bağatır, G.,
Aviyente, V.
, Monard, G., Akten, E. D., 3rd International BAU Drug Design Congress, İstanbul, Turkey,
October 1-3, 2015
Computational insight into the polymerization of conjugated electroluminescent polymer PPV: Diradical character of monomers and dimers
S. Catak
, B. Champagne, D. Vanderzande, M. Waroquier, V. Van Speybroeck, ACS Fall 2015 National Meeting, Boston, Massachusetts, USA,
16–20 August 2015
Understanding Chemical Reactivity using Computational Tools
S. Catak
, Bilkent University, Department of Chemistry, Ankara,
26 April 2016
Application of DFT Descriptors for the Discrimination of Agonist and Antagonist Activity of Ligands Binding to The NMDA Receptor
Haşlak, Z. P., Dutağacı, B., Bahadır, G., Bozkurt, E.,
Çatak, Ş.
,
Aviyente, V.
, De Vleeschouwer, F., De Proft, F., 3rd International BAU Drug Design Congress, Istanbul, Turkey,
October 1-3, 2015
Investigation of Degradation Mechanism of Diclofenac: A DFT Study
Agopcan Çınar, S., Ziylan, A., Ince, N. H.,
Catak, S.
,
Aviyente V.
Molecular and Chemical Kinetics Workshop ’15, Berlin, Germany,
September 7-9, 2015
A Computational Approach for the Discrimination of Agonists and Antagonists for Glutamate Receptors
Haşlak, Z. P., Dutağacı, B., Bahadır, G., Bozkurt, E.,
Çatak, Ş.
,
Aviyente, V.
, De Vleeschouwer, F., De Proft, F., 15th European Symposium on Organic Reactivity, Kiel, Germany,
August 30-September 4, 2015
Understanding the Origins of Stereoselectivity in Organic Reactions: A Quantum Mechanical Approach
Aviyente V.
, 250th American Chemical Society National Meeting & Exposition, Boston, MA, USA,
August 16-20, 2015
Serbest Radikal Polimerizasyon Tepkimelerinde Modellemenin Rolü
Aviyente V.
, 2. Ulusal Hesaplamalı Kimya Kongresi, Kars, Turkey,
June 2-5, 2015
Computational Investigation of New Potent Antagonists for the Glycine Binding Site of N-Methyl-D-Aspartate (NMDA) Receptor
Tanrıver, G., Akgül, D., Çifci, G.,
Çatak, Ş.
,
Aviyente, V.
Spring School on Computational Tools for Materials Science, Ghent, Belgium,
April 13-17, 2015
Insight into Polymerization of Conjugated Electroluminescent Polymer PPV: Diradical Character of Monomers and Dimers
S. Catak
, B. Champagne, D. Vanderzande, M. Waroquier, V. Van Speybroeck, Molecular Chemistry, Yıldız Technical University, Istanbul, Turkey,
19 December 2014
Ab-initio and Molecular Dynamics Study on the Investigation of the Topoisomerase-targeted Anti-cancer Drug Molecules
Furuncuoğlu Özaltın, T.,
Aviyente, V.
, Sari, L., International Symposium on Molecular Chemistry, İstanbul, Turkey,
December 19, 2014
Assessing the Ligand-Protein Binding Modes with Computational Tools
Çifci, G.,
Aviyente, V.
, Monard, G., Akten, E. D., International Symposium on Molecular Chemistry, İstanbul, Turkey,
December 19, 2014
How Good Can We Model the Kinetics in Free Radical Polymerization Reactions?
Aviyente V.
, International Symposium on Molecular Chemistry, Istanbul, Turkey,
December 19, 2014
Synthesis and Characterization of Novel Photoinitiators from Alkyl α-Hydroxymethacrylates
Agopcan Çınar, S., Avci, D.,
Aviyente, V.
, International Symposium on Molecular Chemistry, İstanbul, Türkiye,
December 19, 2014
An Overview on the Origins of Stereoselectivity in Organic Reactions
Aviyente V.
, Chemical Physics Congress (CPC-XI), Istanbul, Turkey,
October 17-18, 2014
Assessing the Ligand-protein Binding Modes with Computational Tools
Çifci, G.,
Aviyente, V.
, Monard, G., Akten, E. D., Chemical Physics Congress (CPC-XI), İstanbul, Turkey,
October 17-18, 2014
Computational Investigation of New Potent Antagonists for the Glycine Binding Site of N-methyl-D-aspartate (NMDA) Receptor
Akgül, D., Çifci, G., Bozkurt, E.,
Çatak, Ş.
,
Aviyente, V.
Chemical Physics Congress (CPC-XI), Istanbul, Turkey,
October 17-18, 2014
Discrimination of Agonist and Antagonist Activity of Ligands Binding to the NMDA Receptor By Means of Chemical Descriptors
Haşlak, Z. P., Bahadır, G., Bozkurt, E.,
Çatak, Ş.
,
Aviyente, V.
, Chemical Physics Congress (CPC-XI), Istanbul, Turkey,
October 17-18, 2014
Modeling Morphological Behaviour of PNIPAM and PIPOX in Aqueous Solutions
Furuncuoğlu Özaltın, T., Atılgan, C.,
Aviyente, V.
, Chemical Physics Congress (CPC-XI), İstanbul, Turkey,
October 17-18, 2014
Novel Photoinitiators from Alkyl α-Hydroxymethacrylates: An Experimental and Computational Study
Agopcan Çınar, S., Avcı, D.,
Aviyente, V.
, Chemical Physics Congress (CPC-XI), Istanbul, Turkey,
October 17-18, 2014
Organik tepkimelerde çözücü etkisinin ve stereoseçiciliğin modellenmesi
Aviyente V.
, Ulusal Organik Kimya Sempozyumu, Ankara, Turkey,
September 24-26, 2014
Synthesis and Photopolymerization Efficiencies of Novel Photoinitiators from Alkyl α-Hydroxymethacrylates
Agopcan Çınar, S.,
Aviyente, V.
, Avci, D., The European Symposium of Photopolymer Science, Vienna, Austria,
September 9-12, 2014
A DFT approach to differentiate agonist and antagonist activity of ligands binding to the NMDA receptor
Haşlak, Z. P., Bahadır, G., Bozkurt, E.,
Çatak, Ş.
,
Aviyente, V.
, Promoting Female Excellence in Theoretical & Computational Chemistry II, Oslo, Norway,
June 13-16, 2014
PPV Polymerization via the Gilch Route: Effect of Diradical Character of Monomers and Dimers
J. Djurdjevic,
S. Catak
, B. Champagne, D. Vanderzande, M. Waroquier, V. Van Speybroeck, FemEx-Oslo: Promoting Female Excellence in Theoretical and Computational Chemistry II, Oslo, Norway,
13–16 June 2014
Organik tepkimelerde stereoseçiciliğin modellenmesi
Aviyente V.
, Ulusal Hesaplamalı Kimya Çalıştayı, Van, Turkey,
May 29-31, 2014
Assessing the Ligand-protein Binding Modes with Computational Tools
Çifci, G.,
Aviyente, V.
, Monard, G., Akten, E. D., [BUkimya]+3 Sempozyomu, Istanbul, Turkey,
May 3, 2014
Assessing the Ligand-protein Binding Modes with Computational Tools
Çifci, G.,
Aviyente, V.
, Akten, E. D., Monard, G., 2nd International BAU Drug Design Congress, Istanbul, Turkey,
April 17-19, 2014
Assessing The Ligand-Protein Binding Modes with Computational Tools
Çifci, G.,
Aviyente, V.
, Monard, G., 44th IUPAC World Chemistry Congress, Istanbul, Turkey,
August 11-16, 2013
Computational Investigation of New Potent Antagonists for the Glycine Binding Site of N-Methyl-D-Aspartate (NMDA) Receptor
Akgül, D., Çifci, G., Bozkurt, E.,
Aviyente, V.
, 44th IUPAC World Chemistry Congress, Istanbul, Turkey,
August 11-16, 2013
Sonochemical Degradation of Diclofenac: Assessment of Reaction Mechanisms with Computational Tools
Agopcan Çınar, S., Ziylan, A., Doğan, Ş., Kidak, R.,
Aviyente, V.
, İnce, N. H., 44th IUPAC World Chemistry Congress, İstanbul, Turkey,
August 11-16, 2013
Exploring Biological Reactions with First Principles Metadynamics Simulations
S. Catak
, Swiss Association of Computational Chemistry (SACC) Spring Meeting, Bern University, Bern, Switzerland,
11 February 2013
Modeling the Solvent Effect on the Morphology and the Tacticity of Polymers
Furuncuoğlu, T.,
Aviyente, V.
, Atilgan, C., 26th National Chemistry Congress, Muğla, Türkiye,
October 1-6, 2012
First Principles Metadynamics Simulations of 'Rare Events' in Biological Systems
S. Catak
, ETH Zurich, Competence Center for Computational Chemistry, Switzerland,
10 May 2012
Effect of the (n+1) residue on peptide deamidation
S. Catak
, J. Felix, V. Van Speybroeck, M. Waroquier, E. Pauwels, ACS Spring 2012 National Meeting, San Diego, California, USA,
25–29 March 2012
Modeling Morphological Behaviour of PNIPAM and PIPOX in Aqueous Solutions
Furuncuoğlu Özaltın, T., Atılgan, C.,
Aviyente, V.
, Chemical Physics Congress X, Ankara, Turkey,
October 10-12, 2012
The Origins of Selectivities in Intramolecular Nitrone Cycloadditions
Agopcan, S., Krenske, E. H.,
Aviyente, V.
, Houk, K. N., Johnson, B. A., Holmes, A., Chemical Physics Congress X, Ankara, Turkey,
October 10-12, 2012
Cycloaddition Reactions of 1,3-dipoles to Rhodium-Carbon Bonds
Agopcan, S., Uğur, İ., Dedeoğlu, B., Houk, K. N.,
Aviyente, V.
, 26th National Chemistry Congress, Muğla, Turkey,
October 1- 6, 2012
Metadynamics Simulations of 'Rare Events' in Proteins and Peptides
S. Catak
, Sabanci University, Materials Science and Engineering, Istanbul, Turkey,
14 December 2011
Understanding Chemical Reactivity with Quantum Mechanical Computations
S. Catak
, Syngenta Crop Protection AG, Stein, Switzerland,
13 December 2011
First Principles Metadynamic Simulations of Reactions in Solution
S. Catak
, , Kadir Has University, Department of Information Technology, Istanbul, Turkey,
8 April 2011
Investigation of the Topoisomerase-targeted Anti-cancer Drug Molecules: Ab-initio and Molecular Dynamics Study
Furuncuoğlu, T.,
Aviyente, V.
, Sari, L., Ninth Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC), Santiago De Compostela, Spain,
July 17-22, 2011
Regioselectivity and Stereoselectivity in Intramolecular Nitrone 1,3-dipolar Cycloadditions to Form a Key Intermediate in a Histrionicotoxin Synthesis
Agopcan, S.,
Aviyente, V.
, Krenske, E. H., Houk, K. N., Johnson, B. A., Holmes, A. B., Ninth Triennial Congress of The World Association of Theoretical and Computational Chemists (WATOC), Santiago De Compostela, Spain,
July 17-22, 2011
Novel Reactive Polymeric Supports for Synthesis of Polymer Drug Conjugates
Tanrıver, G., Genç, T., Sanyal, R., European Polymer Congress EPF, Granada, Spain,
June 26-July 1, 2011
QM Metadynamics Study on Peptide Deamidation
S. Catak
, B. De Sterck, R. E. Bulo, M. Waroquier, V. Van Speybroeck, Chemical Physics Congress-IX, Izmir Institute of Technology, Cesme, Izmir, Turkey,
14–16 October 2010
Investigating Free Energy Surfaces of Biological Reactions with Metadynamics
S. Catak
, Bogazici University, Chemistry Department, Istanbul, Turkey,
23 September 2010
QM Metadynamics Study on Asparagine Deamidation in Proteins
S. Catak
, B. De Sterck, M. Waroquier, V. Van Speybroeck, ACS Spring 2010 National Meeting, San Francisco, California, USA,
17–25 March 2010
Metadynamics Simulations of Asparagine Deamidation in Peptides
S. Catak
, Free University, Theoretical Chemistry Department, Amsterdam, Netherlands,
1 March 2010
Molecular Docking Study for Novel Phosphodiesterase-4 Inhibitors
Çifci, G., Akten, D.,
Aviyente, V.
, Wolber, G., Distinto, S., International 9th Chemical Physics Congress, Izmir, Turkey,
October 14-16, 2010
Origins of The Diastereoselectivity in the Diels-Alder Reactions of Chiral Dienes with Achiral Dienophiles: A Computational Study
Agopcan, S., Çelebi-Ölçüm, N., Üçışık, M.N., Sanyal, A.,
Aviyente, V.
, Chemical Physics-IX, İzmir, Turkey,
October 14-16, 2010
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