Structure and dynamics of a DNA duplex containing single alpha-anomeric deoxyadenosine residue

• Autorzy: Bielecki L. , Adamiak R.W.
• Języki publikacji: EN

Abstrakty

EN

Structure and dynamics of an undecamer DNA duplex containing a single a-anomeric deoxyadenosine residue placed in opposition to a thymidine unit have been studied using simulation of molecular dynamics in aqueous solution. Despite several noticeable devia­tions from the B-DNA duplex structure caused by the anomerisation, such as: West type puckering of the a-anomeric sugar, disrupted base stacking pattern and unstable duplex bending, the formation of a non-classical a-dA-T pair was observed. A novel way of visual presentation of trajectory data allowing high throughput screening of the conformational parameters is presented.

Słowa kluczowe

EN

structure; thymidine; alpha-anomeric deoxyadenosine; alpha-anomers; DNA; bioorganic chemistry; dynamics; molecular dynamics

• Wydawca: -
• Czasopismo: Acta Biochimica Polonica
• Rocznik: 2001
• Tom: 48
• Numer: 1
• Opis fizyczny: p.103-111,fig.

Twórcy

autor

Bielecki L.

• Polish Academy of Sciences, Z.Noskowskiego 12-14, 61-704 Poznan, Poland

autor

Adamiak R.W.

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