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Docking of novel reversible monoamine oxidase-B inhibitors: Efficient prediction of ligand binding sites and estimation of inhibitors thermodynamic properties 

Yelekçi, Kemal; Toprakçi, Mustafa (Amer Chemical Soc, 2006)
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Classification Of Distinct Conformers Of Beta < 2-Adrenergic Receptor (Beta 2-AR) Based On Binding Affinity Of Ligands Through Docking Studies 

Akten, Ebru Demet; Dilcan, Gonca (Amer Chemical Soc, 2016)
B2AR reseptörü, akciğerlerin rahatlamasında ve kardiyovasküler fizyolojide rol oynamasıyla önemli bir ilaç hedefidir. Bu çalışmada, çeşitli B2AR konformasyonlarını aktif veya inaktif olarak sınıflandırmak amacıyla, ...
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Optical energy band gap of PAAm-GO composites 

Evingür, Gülşen Akin; Pekcan, Önder (Elsevier Science, 2018)
Graphene oxide (GO) can be used as an electron acceptor for polymers. The generation of the exciton in such materials is intimately related to the optical band gap. Polyacrylamide (PAAm) - graphene oxide (GO) composites ...
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Mechanical properties of graphene oxide-polyacrylamide composites before and after swelling in water 

Evingür, Gülşen Akin; Pekcan, Önder (Springer, 2018)
Polyacrylamide (PAAm) hydrogels have been proposed for use as promising biomaterials in biomedical and tissue engineering but their poor mechanical and water-retention properties have hindered their development. Graphene ...
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The neural gamma(2)alpha(1)beta(2)alpha(1)beta(2) gamma amino butyric acid ion channel receptor: structural analysis of the effects of the ivermectin molecule and disulfide bridges 

Ayan, Meral; Eşsiz, Şebnem (Springer, 2018)
While similar to 30% of the human genome encodes membrane proteins only a handful of structures of membrane proteins have been resolved to high resolution. Here we studied the structure of a member of the Cys-loop ligand ...
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The design of potent HIV-1 integrase inhibitors by a combined approach of structure-based virtual screening and molecular dynamics simulation 

Samorlu, Augustine S.; Yelekçi, Kemal; Uba, Abdullahi İbrahim (Taylor & Francis Ltd, 2018)
Bu araştırmanın amacı, AIDS olarak bilinen insan bağışıklık sistemine etki eden, duraksamayan ve depresif bir hastalığa neden olan HIV-1'in tedavisi için potansiyel inhibitörleri elde etmektir. HIV-1 integraz inhibitörleri, ...
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Carboxylic acid derivatives display potential selectivity for human histone deacetylase 6: Structure-based virtual screening molecular docking and dynamics simulation studies 

Uba, Abdullahi İbrahim; Yelekçi, Kemal (Elsevier Science, 2018)
Human histone deacetylase 6 (HDAC6) has been shown to play a major role in oncogenic cell transformation via deacetylation of alpha-tubulin making it a viable target of anticancer drug design and development. The crystal ...
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The Association of Gvhd With Hla Dr Alleles, Ifn-Gamma, Tgf-Beta, And Mbl2 Gene Polymorphism 

Oğuz, Rusdu; Çiftçi, Hayriye Şentürk; Gökçe, Muge; Öğret, Yeliz; Karadeniz, Sedat Tanju; Pehlivan, Sacide; Aydın, Filiz (Wiley, 2019)
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Intermolecular interactions in human HDAC8 crystal structures and the stability of binding modes of co-crystallized inhibitors 

Yelekçi, Kemal; Uba, Abdullahi (Amer Chemical Soc, 2019)
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Pharmacophore-based virtual screening for identification of potential selective inhibitors of human histone deacetylase 6 

Uba, Abdullahi Ibrahim; Yelekçi, Kemal (Elsevier Sci Ltd, 2018)
Histone deacetylase (HDAC) 6 plays a role in oncogenic transformation and cancer metastasis via tubulin deacetylation, making it a critical target for anticancer drug design. However, lack of selectivity shown by many of ...
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AuthorPekcan, Onder (19)Yelekçi, Kemal (14)Yelekci Kemal (12)Akten, Ebru Demet (7)Evingür, Gülşen Akin (7)Uba, Abdullahi İbrahim (6)Kara, Selim (5)Pekcan, Önder (5)Arda, Ertan (4)Djikic, Teodora (4)... View MoreSubjectMolecular docking (9)Acrylamide (5)Fluorescence (5)MD simulation (4)Molecular dynamics simulation (4)fluorescence (3)Inhibition (3)Prostate cancer (3)Swelling (3)Synthesis (3)... View MoreDate Issued2010 - 2020 (63)2006 - 2009 (6)Has File(s)
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