Molecular dynamics simulations of nucleic acid–protein complexes
نویسندگان
چکیده
منابع مشابه
Molecular dynamics simulations of large macromolecular complexes.
Connecting dynamics to structural data from diverse experimental sources, molecular dynamics simulations permit the exploration of biological phenomena in unparalleled detail. Advances in simulations are moving the atomic resolution descriptions of biological systems into the million-to-billion atom regime, in which numerous cell functions reside. In this opinion, we review the progress, driven...
متن کاملFrom DEPARTMENT OF BIOSCIENCES AND NUTRITION Karolinska Institutet, Stockholm, Sweden MOLECULAR DYNAMICS SIMULATIONS OF PROTEIN-NUCLEIC ACID COMPLEXES
Nucleic acids are essential molecules when it comes to replication, transcription and translation of the genetic information and nearly all functions of nucleic acids are carried out in complex with proteins. The proteins need to be able to discriminate between different sites on the nucleic acids for correct binding. The recognition of a specific nucleotide sequence is determined by atomic int...
متن کاملMolecular dynamics simulations.
Molecular dynamics simulations have become a standard tool for the investigation of biomolecules. Simulations are performed of ever bigger systems using more realistic boundary conditions and better sampling due to longer sampling times. Recently, realistic simulations of systems as complex as transmembrane channels have become feasible. Simulations aid our understanding of biochemical processe...
متن کاملMolecular dynamics simulations
Large biological molecules are frequently represented by a single three-dimensional structure, but in reality, under physiological conditions, they are dynamic entities in constant motion. One important theoretical technique for analyzing both motions and energetics and the roles they play in macromolecular structure and function is a form of simulation termed molecular dynamics. The field of o...
متن کاملMolecular Dynamics Simulations
A tutorial introduction to the technique of Molecular Dynamics (MD) is given, and some characteristic examples of applications are described. The purpose and scope of these simulations and the relation to other simulation methods is discussed, and the basic MD algorithms are described. The sampling of intensive variables (temperature T , pressure p) in runs carried out in the microcanonical (NV...
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ژورنال
عنوان ژورنال: Current Opinion in Structural Biology
سال: 2008
ISSN: 0959-440X
DOI: 10.1016/j.sbi.2007.12.012