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العنوان
A Data Mining Algorithm for the Identification of Cation - π Interactions in Protein 3D Structures /
المؤلف
al-hossary, amr ali mokhtar.
هيئة الاعداد
باحث / عمرو علي مختار الحصري
مشرف / أحمد شرف الدين أحمد
مشرف / سمر كمال قاسم
مشرف / برندان ب. أورن
الموضوع
Carrier proteins. Pharmacokinetics. Allosteric proteins.
تاريخ النشر
2012.
عدد الصفحات
71 p. :
اللغة
الإنجليزية
الدرجة
ماجستير
التخصص
Information Systems
تاريخ الإجازة
1/1/2012
مكان الإجازة
جامعة حلوان - كلية الحاسبات والمعلومات - نظم ومعلومات
الفهرس
Only 14 pages are availabe for public view

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from 74

Abstract

;understanding the forces that control and influence the folding :eractions of proteins could help to expand fundamental tand of proteins in nature: How they fold and unfold, ley interact; which could have direct applications in ike hormone receptors and neurotransmitters; leading to :lrug design and development.
ition - IT interaction is a relatively newly discovered which has considerable impact on protein structure and lll. Cation - IT interaction energies are of the same order snitude as hydrogen bonds or salt bridges and play an ant role in molecular recognition.
,bjective in this research is to study the effect of ence of a cation-IT interaction on the polarity of its ;ting IT system, (which is reflected in the form of ncy of occurrence of cation/anion - IT interactions on the side of that IT system), aiming at providing better
;tanding of forces that affect protein - protein / legend :tion. This better understanding will lead to enhancing d sciences (e.g. drug discovery & design).
~search was conducted by developing an algorithm to l the entire Protein Data Base to detect all the cation- IT ;tions in every available protein structure; and then ng the frequencies of their occurrences on both sides and !ations between these frequencies.