Zobrazeno 1 - 4
of 4
pro vyhledávání: '"Emmanuel Giudice"'
Publikováno v:
Nucleic Acids Research. 31:1434-1443
The conformational pathways and the free energy variations for base opening into the major and minor grooves of a B-DNA duplex are studied using umbrella sampling molecular dynamics simulations. We compare both GC and AT base pair opening within a do
Publikováno v:
ChemPhysChem. 2:673-677
Free energy profiles of opening of a centrally placed A:T pair within a DNA oligomer exhibits two regimes: Elastic deformation due to hydrogen bond rupture and a roughly linear region due to loss of stacking and solvation. Thymine opens equally easil
Nucleic acid base pair dynamics: the impact of sequence and structure using free-energy calculations
Autor:
Emmanuel Giudice, Richard Lavery
Molecular dynamics free-energy calculations of base pair opening within double helical DNA and RNA are used to explain why A-tracts (oligo-adenine repeats) greatly increase the lifetimes of AT base pairs, whereas the structural and the chemical chang
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::09b22c9d1c1f709dd6759e62ce78db5f
https://hal.archives-ouvertes.fr/hal-00312964
https://hal.archives-ouvertes.fr/hal-00312964
Autor:
David L. Beveridge, David A. Case, Filip Lankaš, Richard Lavery, John H. Maddocks, Thomas E. Cheatham, Surjit B. Dixit, Heinz Sklenar, Emmanuel Giudice, Péter Várnai, Kelly M. Thayer, Roman Osman
Publikováno v:
Biophysical Journal 89 (6): 3721-3740.
Molecular dynamics (MD) simulations including water and counterions on B-DNA oligomers containing all 136 unique tetranucleotide basepair steps are reported. The objective is to obtain the calculated dynamical structure for at least two copies of eac