| Literature DB >> 20012413 |
Shozeb Haider1, Stephen Neidle.
Abstract
Methods for the molecular modeling and simulation of G-quadruplex structures and their drug/ligand complexes are discussed, and a range of protocols is presented for undertaking a variety of tasks including model-building, ligand docking, dynamics simulation, continuum solvent modeling, energetic calculations, principal component analysis, and quantum chemical computations. The scope and limitations of these approaches are discussed.Mesh：
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Year: 2010 PMID： 20012413 DOI： 10.1007/978-1-59745-363-9_2
Source DB: PubMed Journal: Methods Mol Biol ISSN： 1064-3745