Computational studies of RNA and DNA

Filip Lanka¿

ISBN 10: 9048171954 / ISBN 13: 9789048171958

Editore: Springer, 2010

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Druck auf Anfrage Neuware - Printed after ordering - 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 considered include:- Basic principles of nucleic acid structure and structural databases- Introduction to key molecular modelling tools and methods- Application of atomistic simulations to a wide variety of DNA and RNA systems - Accurate QM calculations of base pairing, stacking and cation binding- Charge transfer, excited states and NMR parameters- Calculating mechanical properties of nucleic acids- Mesoscopic simulation of DNA, chromatin modellingThis book is ideally suited to academics and researchers in organic and computational chemistry, structural molecular biology and biophysics as well as biochemistry, and particularly those interested in the molecular modelling of nucleic acids.Besides the state-of-the-art science, the book also provides extensive introductory informationfor non-specialists and students to enter and understand this field.

Codice articolo 9789048171958

Dati bibliografici

• Titolo: Computational studies of RNA and DNA
• Editore: Springer
• Data di pubblicazione: 2010
• Lingua: Inglese
• ISBN 10: 9048171954
• ISBN 13: 9789048171958
• Rilegatura: Taschenbuch
• Condizione: Neu
• Dimensioni: 235 L x 155 A x 35 P (millimetri) 235 millimetri di larghezza per 155 millimetri di altezza per 35 millimetri di profondità
• Peso: 972 grammi

Descrizione articolo

Riassunto

This book integrates 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.

Dalla quarta di copertina

Computational Studies of RNA and DNA

Jiri Sponer and Filip Lankas

 

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

This book is ideally suited to academics and researchers in organic and computational chemistry as well as biochemistry and particularly those interested in the molecular modelling of nucleic acids.

Besides the state-of-the art science, the book also provides introductory information to non-specialists to enter and understand this field.