Improvement of DNA and RNA Sugar Pucker Profiles from Semiempirical Quantum Methods
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چکیده
منابع مشابه
Improvement of DNA and RNA Sugar Pucker Profiles from Semiempirical Quantum Methods
Neglect of diatomic differential overlap (NDDO) and self-consistent density-functional tight-binding (SCC-DFTB) semiempirical models commonly employed in combined quantum mechanical/molecular mechanical simulations fail to adequately describe the deoxyribose and ribose sugar ring puckers. This failure limits the application of these methods to RNA and DNA systems. In this work, we provide bench...
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هدف از این مطالعه بررسی امکان استفاده از داروهای شناخته شده در درمان سایر بیماریها به عنوان داروهای ضد سرطان است. همچنین با استفاده از این داروها در ساختمان کمپلکس فلز می توان شاخص های دارویی بدست آمده را بررسی نمود. داروی ضد ویروس ایدز(hiv)به نام زیدوودین(azt)انتخاب و.کمپلکس.محلول.در.آب[pt(azt)2]cl2سنتزو به روشهای مختلف فیزیکی و شیمیایی شناسایی گردید. بر هم کنش مقایسه ای این دارو و کمپلکس پلا...
15 صفحه اولActivated Ribonucleotides Undergo a Sugar Pucker Switch upon Binding to a Single-Stranded RNA Template
Template-directed polymerization of chemically activated ribonucleotide monomers, such as nucleotide 5'-phosphorimidazolides, has been studied as a model for nonenzymatic RNA replication during the origin of life. Kinetic studies of the polymerization of various nucleotide monomers on oligonucleotide templates have suggested that the A-form (C3'-endo sugar pucker) conformation is optimal for bo...
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ژورنال
عنوان ژورنال: Journal of Chemical Theory and Computation
سال: 2014
ISSN: 1549-9618,1549-9626
DOI: 10.1021/ct401013s