@article{article, author = {Şenel Pelin, Agar Soykan, YURTSEVER MİNE, GÖLCÜ AYŞEGÜL}, title = {Voltammetric quantification, spectroscopic, and DFT studies on the binding of the antineoplastic drug Azacitidine with DNA}, journal = {Journal of Pharmaceutical and Biomedical Analysis}, year = 2024, number = 115746, month = 1, volume = 237 }

@article{article, author = {Cheraghi, Somaye, Şenel Pelin, DOĞAN TOPAL BURCU, Agar Soykan, majidian Mahsa, YURTSEVER MİNE, Bellur Atıcı Esen, GÖLCÜ AYŞEGÜL, Özkan Sibel A.}, title = {Elucidation of DNA-Eltrombopag Binding: Electrochemical, Spectroscopic and Molecular Docking Techniques}, journal = {Biosensors-Basel}, year = 2023, number = 3, month = 2, volume = 13 }

@article{article, author = {Erkoç Çağla, Yildirim Erol, YURTSEVER MİNE, OKAY OĞUZ}, title = {Roadmap to Design Mechanically Robust Copolymer Hydrogels Naturally Cross-Linked by Hydrogen Bonds}, journal = {American Chemical Society (ACS)}, year = 2022, month = 11, volume = 55 }

@article{article, author = {Çetinkaya Ahmet, KAYA SARİYE İREM, Şenel Pelin, Çini Nejla, Atıcı Esen Bellur, Özkan Sibel, YURTSEVER MİNE, GÖLCÜ AYŞEGÜL}, title = {Detection of Axitinib Using Multiwalled Carbon Nanotube-Fe2O3/Chitosan Nanocomposite-Based Electrochemical Sensor and Modeling with Density Functional Theory}, journal = {American Chemical Society (ACS)}, year = 2022, month = 9, volume = 7 }

@article{article, author = {Şenel Pelin, Agar Soykan, İŞ YUSUF SERHAT, ALTAY FİLİZ, GÖLCÜ AYŞEGÜL, YURTSEVER MİNE}, title = {Deciphering the mechanism and binding interactions of Pemetrexed with dsDNA with DNA-targeted chemotherapeutics via spectroscopic, analytical, and simulation studies}, journal = {Journal of Pharmaceutical and Biomedical Analysis}, year = 2021, pages = {114490}, month = 11, volume = 209 }

@article{article, author = {KORKMAZ BURAK, Ağtaş Sinem, SÜTAY BERKAY, Yıldırım Erol, YILGÖR İSKENDER, YURTSEVER MİNE, ŞENKAL BAHİRE FİLİZ, GÜRSEL YEŞİM}, title = {Influence of hydrogen bond on the mesomorphic behaviour in urethane based liquid crystalline compounds: Experimental and computer simulation study}, journal = {JOURNAL OF MOLECULAR LIQUIDS}, year = 2020, pages = {114001-114010}, month = 8, volume = 317 }

@article{article, author = {AYDIN GÜLŞAH, Paksoy Maide Nur, Orhan Müge Didem, AVŞAR TİMUÇİN, YURTSEVER MİNE, DURDAĞI SERDAR}, title = {Proposing novel MDM2 inhibitors: Combined physics-driven high-throughput virtual screening and in vitro studies}, journal = {CHEMICAL BIOLOGY & DRUG DESIGN}, year = 2020, month = 7 }

@article{article, author = {İŞ YUSUF SERHAT, Aksoydan Busecan, ŞENTÜRK MURAT, YURTSEVER MİNE, DURDAĞI SERDAR}, title = {Integrated Binary QSAR-Driven Virtual Screening and In Vitro Studies for Finding Novel hMAO-B-Selective Inhibitors}, journal = {Journal of Chemical Information and Modeling}, year = 2020, number = 8, pages = {4047-4055}, month = 7, volume = 60 }

@article{article, author = {Gunay Beril Colak,YURTSEVER MİNE,DURDAĞI SERDAR}, title = {Elucidation of interaction mechanism of hERG1 potassium channel with scorpion toxins BeKm-1 and BmTx3b}, journal = {Journal of Molecular Graphics and Modelling}, year = 2020, pages = {107504}, month = 5, volume = 96 }

@article{article, author = {Şenel Pelin, Sayin V Oyku, Agar Soykan, ALTAY FİLİZ, YURTSEVER MİNE, GÖLCÜ AYŞEGÜL}, title = {Elucidation of binding interactions and mechanism of Fludarabine with dsDNA via multispectroscopic and molecular docking studies}, journal = {Journal of Pharmaceutical and Biomedical Analysis}, year = 2020, pages = {112994}, month = 2, volume = 179 }

@inproceedings{inproceedings, author = {Aydın Yıldız,İŞ YUSUF SERHAT,DURDAĞI SERDAR,YURTSEVER MİNE}, title = {Investigation of Role of Fluorine Atoms in the Activity of Well-Known Fluorine Containing Marketed Drugs: DFT and Docking Studies}, year = 2019, month = 12 }

@inproceedings{inproceedings, author = {Aydın Yıldız,İŞ YUSUF SERHAT,DURDAĞI SERDAR,YURTSEVER MİNE}, title = {Investigation of Role of Fluorine Atoms in the Activity of Well-Known Fluorine Containing Marketed Drugs: DFT and Docking Studies}, year = 2019, month = 12 }

@inproceedings{inproceedings, author = {YURTSEVER MİNE}, title = {New Drug Candidates for Neurodegenerative Diseases Discovered by Virtual Screening Methods and Verified by in-vitro Studies}, year = 2019, month = 12 }

@inproceedings{inproceedings, author = {Sütay Berkay,YURTSEVER MİNE,Cicigül Hakan,Tiftikçi Esra,Topal Sebahat,ÖZTÜRK TURAN,SEZER ESMA,USTAMEHMETOĞLU BELKIZ}, title = {Experimental and DFT Study on Electronic and Optical Properties of Donor-Acceptor Type Copolymers Containing Thiophene (T), Thienothiophene (TT), Dithienothiophene (DTT) and Bithiazole (NBT) Units}, year = 2019, month = 12 }

@inproceedings{inproceedings, author = {YURTSEVER MİNE}, title = {Polimerik Malzemelerin Yapısal ve Morfolojik Özelliklerinin Hesaplamalı Yöntemlerle İncelenmesi}, year = 2019, month = 9 }

@article{article, author = {Onaran Gulsah,YURTSEVER MİNE,YILGÖR İSKENDER}, title = {A coarse grained simulation study on the morphology of ABA triblock copolymers}, journal = {Computational Materials Science}, year = 2019, pages = {160-167}, month = 9, volume = 167 }

@article{article, author = {SÜTAY BERKAY,Onaran Gulsah,Yildirim Erol,YURTSEVER MİNE}, title = {Theoretical design of high-mobility bithiophene imide (BTI) derivative polymeric semiconductors}, journal = {Computational Materials Science}, year = 2019, pages = {162-169}, month = 8, volume = 166 }

@article{article, author = {SU ESRA,YURTSEVER MİNE,OKAY OĞUZ}, title = {A Self-Healing and Highly Stretchable Polyelectrolyte Hydrogel via Cooperative Hydrogen Bonding as a Superabsorbent Polymer}, journal = {Macromolecules}, year = 2019, number = 9, pages = {3257-3267}, month = 4, volume = 52 }

@inproceedings{inproceedings, author = {İŞ YUSUF SERHAT,DURDAĞI SERDAR,Aksoydan Busecan,YURTSEVER MİNE}, title = {Searching New MAO-B Hit Inhibitors with Integrated Computational Drug Design Methods}, year = 2018, month = 12 }

@inproceedings{inproceedings, author = {İŞ YUSUF SERHAT,DURDAĞI SERDAR,Aksoydan Busecan,YURTSEVER MİNE}, title = {Proposing Novel MAO-B Hit Inhibitors Using Multidimensional Molecular Modelling Techniques}, year = 2018, month = 10 }

@inproceedings{inproceedings, author = {Sütay Berkay,Yildirim Erol,YURTSEVER MİNE}, title = {Theoretical Investigation of new bithiophene-imide based organic semiconductors}, year = 2018, month = 10 }

@inproceedings{inproceedings, author = {İŞ YUSUF SERHAT,DURDAĞI SERDAR,YURTSEVER MİNE}, title = {Molecular Dynamics Simulation Studies on Homodimeric and Monomeric MAO-A and MAO-B Isomers in Different Media: Understanding of Lİgand Binding and Enzyme Selectivity}, year = 2018, month = 9 }

@inproceedings{inproceedings, author = {Yildirim Erol,YILGÖR EMEL,YURTSEVER MİNE,YILGÖR İSKENDER}, title = {Temperature-dependent changes in the hydrogen bonded hard segment network and microphase morphology in a model polyurethane: Experimental and simulation studies}, year = 2018, number = 141, month = 8, volume = 256 }

@article{article, author = {Is Yusuf Serhat,DURDAĞI SERDAR,Aksoydan Busecan,YURTSEVER MİNE}, title = {Proposing Novel MAO-B Hit Inhibitors Using Multidimensional Molecular Modeling Approaches and Application of Binary QSAR Models for Prediction of Their Therapeutic Activity, Pharmacokinetic and Toxicity Properties}, journal = {ACS Chemical Neuroscience}, year = 2018, number = 7, pages = {1768-1782}, month = 7, volume = 9 }

@article{article, author = {Yildirim Erol,YURTSEVER MİNE,Eriman Bülent,Uyanik Nurseli}, title = {Experimental and MD simulation study on the physical and mechanical properties of organically modified montmorillonite clay and compatibilized linear low density polyethylene nanocomposites}, journal = {Journal of Applied Polymer Science}, year = 2018, number = 6, pages = {45817-45828}, month = 2, volume = 135 }

@article{article, author = {Yildirim Erol,YURTSEVER MİNE,YILGÖR EMEL,YILGÖR İSKENDER,Wilkes Garth L}, title = {Temperature-dependent changes in the hydrogen bonded hard segment network and microphase morphology in a model polyurethane: Experimental and simulation studies}, journal = {Journal of Polymer Science Part B: Polymer Physics}, year = 2018, number = 2, pages = {182-192}, month = 1, volume = 56 }

@inproceedings{inproceedings, author = {AYDIN GÜLŞAH,YURTSEVER MİNE,DURDAĞI SERDAR}, title = {Identification of novel MDM2-p53 protein-protein interaction inhibitors with multidimensional molecular modeling approaches and application of binary QSAR models for prediction of therapeutic activity and toxic effects}, year = 2017, month = 10 }

@inproceedings{inproceedings, author = {Alim Çisil,SÜTAY BERKAY,Onaran Gülşah,YURTSEVER MİNE}, title = {A DFT Study on Electronic and Optical Properties of BTI-based Oligomers}, year = 2017, month = 10 }

@inproceedings{inproceedings, author = {Bayat Büşra,Ceylan Yasemin,TEKİN ADEM,YURTSEVER MİNE}, title = {p- and n-type doping of graphene and phosphorene with organic molecules}, year = 2017, month = 10 }

@inproceedings{inproceedings, author = {Çolak Beril,YURTSEVER MİNE,DURDAĞI SERDAR}, title = {hERG1 Channel Interaction with Scorpion Toxins: Using MM‐PBSA calculations to describe in-silico binding results}, year = 2017, month = 10 }

@inproceedings{inproceedings, author = {AYDIN GÜLŞAH,YURTSEVER MİNE,DURDAĞI SERDAR}, title = {Virtual Screening of Two and a half million Compounds for Determination Inhibitors of MDM2 as New Anticancer Molecule Hits: Combined Molecular Docking Simulations, Adme, Metacore and Metadrug Study}, year = 2017, month = 10 }

@inproceedings{inproceedings, author = {Yildirim Erol,YURTSEVER MİNE,YILGÖR EMEL,YILGÖR İSKENDER,Wilkes Garth L}, title = {Poliüretan-Politetrametilenoksit Kopolimerlerinin Sıcaklığa Bağlı Yapısal Değişim Süreçlerinin Kaba Taneleme ve Moleküler Dinamik Simulasyon Yöntemleriyle İncelenmesi}, year = 2017, month = 10 }

@inproceedings{inproceedings, author = {AYDIN GÜLŞAH,YURTSEVER MİNE,DURDAĞI SERDAR}, title = {Yeni MDM2 ve TrkA Hit İnhibitör Moleküllerin Çok Boyutlu Moleküler Modelleme Yaklaşımları ile Belirlenmesi}, year = 2017, month = 10 }

@inproceedings{inproceedings, author = {İŞ YUSUF SERHAT,Aksoydan Busecan,DURDAĞI SERDAR,YURTSEVER MİNE}, title = {Yeni Monoaminoksidaz Enzim (MAO) İnhibitörlerinin Çok Boyutlu Moleküler Modelleme Yöntemleri ile Tasarlanması}, year = 2017, month = 10 }

@inproceedings{inproceedings, author = {AYDIN GÜLŞAH,DURDAĞI SERDAR,YURTSEVER MİNE}, title = {Yeni Antikanser Molekül Hitleri Olarak Potansiyel MDM2 İnhibitörlerinin Belirlenmesi}, year = 2017, month = 9 }

@inproceedings{inproceedings, author = {Sayın Öykü V,DURDAĞI SERDAR,YURTSEVER MİNE}, title = {Karbonik Anhidraz –IX Enzimine Seçici Yeni İnhibitörlerin Sanal Tarama ve Moleküler Dinamik Simülasyon Yöntemleriyle Tasarlanması}, year = 2017, month = 9 }

@article{article, author = {Salmas Ramin Ekhteiari,Stein Matthias,YURTSEVER MİNE,Seeman Philip,Erol Ismail,Mestanoglu Mert,DURDAĞI SERDAR}, title = {The signaling pathway of dopamine D2 receptor (D2R) activation using normal mode analysis (NMA) and the construction of pharmacophore models for D2R ligands}, journal = {Journal of Biomolecular Structure and Dynamics}, year = 2017, number = 9, pages = {2040-2048}, month = 9, volume = 35 }

@article{article, author = {Ekhteiari Salmas Ramin,Serhat Is Yusuf,DURDAĞI SERDAR,Stein Matthias,YURTSEVER MİNE}, title = {A QM protein–ligand investigation of antipsychotic drugs with the dopamine D2 Receptor (D2R)}, journal = {Journal of Biomolecular Structure and Dynamics}, year = 2017, number = 10, pages = {2668-2677}, month = 8, volume = 36 }

@inproceedings{inproceedings, author = {SÜTAY BERKAY,Onaran Gülşah,Alim Çisil,YURTSEVER MİNE}, title = {Towards designing new high-mobility polymeric semiconductors: DFT Investigation of electronic and optical properties of BTI-based monomers and dimers}, year = 2017, month = 6 }

@article{article, author = {Sütay Berkay,YURTSEVER MİNE}, title = {Adsorption of dihalogen molecules on pristine graphene surface: Monte Carlo and molecular dynamics simulation studies}, journal = {Journal of Molecular Modeling}, year = 2017, number = 5, month = 5, volume = 23 }

@article{article, author = {Salmas Ramin,Seeman Philip,Aksoydan Busecan,Stein Matthias,YURTSEVER MİNE,DURDAĞI SERDAR}, title = {Biological Insights of the Dopaminergic Stabilizer ACR16 at the Binding Pocket of Dopamine D2 Receptor}, journal = {ACS Chemical Neuroscience}, year = 2017, month = 1 }

@article{article, author = {Salmas Ramin Ekhteiari,Seeman Philip,Aksoydan Busecan,Erol Ismail,Kantarcioglu Isik,Stein Matthias,YURTSEVER MİNE,DURDAĞI SERDAR}, title = {Analysis of the Glutamate Agonist LY404,039 Binding to Nonstatic Dopamine Receptor D2 Dimer Structures and Consensus Docking}, journal = {ACS Chemical Neuroscience}, year = 2016, number = 6, pages = {1404-1415}, month = 12, volume = 8 }

@inproceedings{inproceedings, author = {AYDIN GÜLŞAH,Salmas Ramin,YURTSEVER MİNE,DURDAĞI SERDAR}, title = {A Computational Analysis of Determination Inhibitors of the MDM2 as New Anticancer Molecule Hits}, year = 2016, month = 10 }

@inproceedings{inproceedings, author = {Günay Beril Çolak,YURTSEVER MİNE,DURDAĞI SERDAR}, title = {In Silico Screening of Protein Protein Interactions of hERG1 Potassium Ion Channels with Scorpion Toxins}, year = 2016, month = 10 }

@inproceedings{inproceedings, author = {YURTSEVER MİNE}, title = {Quantum and Classical Approaches to Structure Dynamics and Interactions of human Dopamine D2 Receptor}, year = 2016, month = 10 }

@article{article, author = {Yildirim Erol,YURTSEVER MİNE,Wilkes Garth L,YILGÖR İSKENDER}, title = {Effect of intersegmental interactions on the morphology of segmented polyurethanes with mixed soft segments A coarse grained simulation study}, journal = {Polymer}, year = 2016, pages = {204-214}, month = 5, volume = 90 }

@article{article, author = {Berkay Sutay,YURTSEVER MİNE}, title = {A post HF study on the halogen bonding interaction of pyrene with diatomic halogen molecules}, journal = {International Journal of Quantum Chemistry}, year = 2016, month = 2 }

@inproceedings{inproceedings, author = {SÜTAY BERKAY,YURTSEVER MİNE}, title = {The Investigation of Adsorption Processes of Dihalogen Molecules onto Pristine Graphene Surface via Molecular Dynamics and Monte Carlo Simulations}, year = 2015, month = 10 }

@inproceedings{inproceedings, author = {Salmas Ramin E,YURTSEVER MİNE,Stein Matthias,DURDAĞI SERDAR}, title = {Combination of in silico Approaches on G Protein coupled Receptors GPCRs}, year = 2015, month = 10 }

@article{article, author = {Salmas Ramin Ekhteiari,YURTSEVER MİNE,DURDAĞI SERDAR}, title = {Protein Engineering Studies for C C Chemokine Receptor Type 2 CCR2}, journal = {Current Enzyme Inhibition}, year = 2015, number = 999, pages = {1-1}, month = 8, volume = 11 }

@inproceedings{inproceedings, author = {Yıldırım Erol,YURTSEVER MİNE}, title = {Computational Investigation of Multi Phase Formation in Segmented Polyurethane Copolymers}, year = 2015, month = 6 }

@article{article, author = {SÜTAY BERKAY,YURTSEVER MİNE,YURTSEVER İSMAİL ERSİN}, title = {A post HF study on the interaction of iodine with small polyaromatic hydrocarbons}, journal = {Journal of Molecular Modeling}, year = 2014, number = 10, month = 10, volume = 20 }

@article{article, author = {Selim Sami,Erol Yildirim,YURTSEVER MİNE,YURTSEVER İSMAİL ERSİN,YILGÖR EMEL,YILGÖR İSKENDER,Garth L Wilkes}, title = {Understanding the influence of hydrogen bonding and diisocyanate symmetry on the morphology and properties of segmented polyurethanes and polyureas Computational and experimental study}, journal = {Polymer}, year = 2014, number = 18, pages = {4563-4576}, month = 9, volume = 55 }

@article{article, author = {Yıldırım Erol,YURTSEVER MİNE}, title = {The role of diisocyanate and soft segment on the intersegmental interactions in urethane and urea based segmented copolymers A DFT study}, journal = {Computational and Theoretical Chemistry}, year = 2014, pages = {28-38}, month = 5, volume = 1035 }