Book Details

Computational studies of RNA and DNA

Publication year: 2006

: 978-1-4020-4851-7


Computational Studies of RNA and DNA includes, in an integrated way, modern computational studies of nucleic acids, ranging from advanced electronic structure quantum chemical calculations through explicit solvent molecular dynamics (MD) simulations up to mesoscopic modelling, with the main focus given to the MD field. It gives an equal emphasis to the leading methods and applications while successes as well as pitfalls of the computational techniques are discussed.The systems and problems studied include: *Accurate calculations of base pairing energies *Electronic properties of nucleic acids and electron transfer, through various types of nucleic acid *Calculating DNA elasticity

: Chemistry and Materials Science, Base, Computational Chemistry, DNA, DNA and RNA mechanics, DNA and RNA structure and dynamics, Mesoscopic Modelling, Molecular Dynamics, Molecular Modelling, RNA, biochemistry