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Orbital SCF energies in the double proton transfer of the adenine-thymine base pair

✍ Scribed by J. Marañon; H. Grinberg

Book ID
112753463
Publisher
Italian Physical Society
Year
1983
Tongue
English
Weight
371 KB
Volume
2
Category
Article
ISSN
0392-6737

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📜 SIMILAR VOLUMES

Molecular Dynamics Simulation of Double
Molecular Dynamics Simulation of Double Proton Transfer: Adenine–Thymine Base Pair
✍ J MARAÑÓN; A FANTONI; J.R GRIGERA 📂 Article 📅 1999 🏛 Elsevier Science 🌐 English ⚖ 186 KB

Molecular dynamics of proton transfer was simulated from normal (N) to tautomeric (T) form of the base pair (bp) adenine}thymine (A}T). The results for the model system, consisting of one A}T base pair in SPC/E water, was analysed in terms of its hydration properties, di!erence on free energy, confo