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SAR and QSAR in Environmental Research Volume 10, 1999 - Issue 2-3
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Original Articles

A Novel Electron-Conformational Approach to Molecular Modeling for QSAR by Identification of Pharmacophore and Anti-Pharmacophore Shielding

I. B. Bersuker Institute for Theoretical Chemistry, Department of Chemistry and Biochemistry, Austin, TX, 78712, USA; College of Pharmacy, The University of Texas at Austin, Austin, TX, 78712, USA
,
S. Bahceci Institute for Theoretical Chemistry, Department of Chemistry and Biochemistry, Austin, TX, 78712, USA
,
J. E. Boggs Institute for Theoretical Chemistry, Department of Chemistry and Biochemistry, Austin, TX, 78712, USA
&
R. S. Pearlman College of Pharmacy, The University of Texas at Austin, Austin, TX, 78712, USA
Pages 157-173 | Received 22 Jun 1998, Accepted 28 Oct 1998, Published online: 05 Oct 2006

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K. Sahin, E. Saripinar & S. Durdagi. (2021) Combined 4D-QSAR and target-based approaches for the determination of bioactive Isatin derivatives. SAR and QSAR in Environmental Research 32:10, pages 769-792.
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Lalehan Akyüz & Emin Sarıpınar. (2013) Conformation depends on 4D-QSAR analysis using EC–GA method: pharmacophore identification and bioactivity prediction of TIBOs as non-nucleoside reverse transcriptase inhibitors. Journal of Enzyme Inhibition and Medicinal Chemistry 28:4, pages 776-791.
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L. Akyüz, E. Sarıpınar, E. Kaya & E. Yanmaz. (2012) 4D-QSAR study of HEPT derivatives by electron conformational–genetic algorithm method. SAR and QSAR in Environmental Research 23:5-6, pages 409-433.
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Articles from other publishers (11)

Burçin Türkmenoğlu, Yahya Güzel, Ekrem Mesut Su & Dilek Şeyma Kızılcan. (2020) Investigation of inhibitory activity of monoamine oxidase A with 4D-QSAR using Fukui indices identifier. Materials Today Communications 25, pages 101583.
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Kader Sahin & Emin Saripinar. (2020) A novel hybrid method named electron conformational genetic algorithm as a 4D QSAR investigation to calculate the biological activity of the tetrahydrodibenzazosines. Journal of Computational Chemistry 41:11, pages 1091-1104.
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Sevinç Çatalkaya, Nazmiye Sabancı, Sevtap Çağlar Yavuz & Emin Sarıpınar. (2020) The effect of stereoisomerism on the 4D-QSAR study of some dipeptidyl boron derivatives. Computational Biology and Chemistry 84, pages 107190.
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Burçin TÜRKMENOĞLU, Hayriye YİLMAZ, Ekrem Mesut SU, Tuğba ALP TOKAT & Yahya GÜZEL. (2017) 4D-QSAR study of flavonoid derivatives with MCET method. International Journal of Chemistry and Technology 1:1, pages 14-23.
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Nazmiye Geçen, Emin Sarıpınar, Ersin Yanmaz & Kader Şahin. (2011) Application of electron conformational–genetic algorithm approach to 1,4-dihydropyridines as calcium channel antagonists: pharmacophore identification and bioactivity prediction. Journal of Molecular Modeling 18:1, pages 65-82.
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Hayriye Yilmaz, Yahya Guzel, Zulbiye Onal, Gokce Altiparmak & Safak Ozhan Kocakaya. (2011) 4D-QSAR Study of p56 Ick Protein Tyrosine Kinase Inhibitory Activity of Flavonoid Derivatives Using MCET Method . Bulletin of the Korean Chemical Society 32:12, pages 4352-4360.
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Ersin Yanmaz, Emin Sarıpınar, Kader Şahin, Nazmiye Geçen & Fatih Çopur. (2011) 4D-QSAR analysis and pharmacophore modeling: Electron conformational-genetic algorithm approach for penicillins. Bioorganic & Medicinal Chemistry 19:7, pages 2199-2210.
Crossref
Roberto Todeschini & Viviana Consonni. 2009. Molecular Descriptors for Chemoinformatics. Molecular Descriptors for Chemoinformatics 1 241 .
Marc C. Nicklaus. 2003. Handbook of Chemoinformatics. Handbook of Chemoinformatics 1687 1711 .
Isaac B. Bersuker, Süleyman Bahçeci & James E. Boggs. (2000) Improved Electron-Conformational Method of Pharmacophore Identification and Bioactivity Prediction. Application to Angiotensin Converting Enzyme Inhibitors. Journal of Chemical Information and Computer Sciences 40:6, pages 1363-1376.
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Andrew C. Good, Jonathan S. Mason & Stephen D. Pickett. 2000. Virtual Screening for Bioactive Molecules. Virtual Screening for Bioactive Molecules 131 159 .

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