Molecular dynamics simulations of DNA and its complexes
Khalid, S. and Rodger, P.M. (2004) Molecular dynamics simulations of DNA and its complexes. Progress in Reaction Kinetics and Mechanism, 29, (3), 167-186. (doi:10.3184/007967404777726232).
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Description/Abstract
This article describes how classical molecular simulation methods are being used to gain a molecular-level understanding of the interaction mechanisms responsible for DNA-ligand recognition, and that govern the response of DNA to ligand binding. Case studies using a variety of different ligands-including small pharmaceutical drugs, proteins and lipids—are used to illustrate the power of modern molecular dynamics simulation methods for understanding how we may control the function and structure of DNA.
| Item Type: | Article |
|---|---|
| ISSNs: | 1468-6783 (print) |
| Related URLs: | |
| Keywords: | b-dna,molecular dynamics, i-125-labeled hoechst-33258, supramolecular cylinder, nucleic acids, crystal-structure, dna-ligand interactions, force-field, molecular recognition, particle mesh ewald, dna, hoechst, nucleic-acids, minor-groove binding, cisplatin, repressor operator complex, major groove, sequence specificity, molecular simulation, netropsin |
| Subjects: | Q Science Q Science > QD Chemistry |
| Divisions: | University Structure - Pre August 2011 > School of Chemistry |
| Item ID: | 54184 |
| Date Deposited: | 05 Aug 2008 |
| Last Modified: | 01 Jun 2011 14:38 |
| Contributors: | Khalid, S. (Author) Rodger, P.M. (Author) |
| Date: | 2004 |
| Status: | Published |
| URI: | http://eprints.soton.ac.uk/id/eprint/54184 |
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