Use of the parmbsc0 force field and trajectory analysis to study the binding of netropsin to the DNA fragment (5′CCAATTGG)2 in the presence of excess NaCl salt in aqueous solution
Author:
Publisher
Elsevier BV
Subject
Molecular Biology,General Medicine,Biochemistry,Structural Biology
Reference45 articles.
1. Structural consequences of a carcinogenic alkylation lesion on DNA: Effect of O6-ethylguanine [e6G] on the molecular structure of d(CGC[e6G]AATTCGCG)-netropsin complex
2. Design of B-DNA cross-linking and sequence-reading molecules
3. Influence of Drug Binding on DNA Flexibility: A Normal Mode Analysis
4. Dynamics Simulation of the Interaction Between the Novel Intercalator Diethidium Cation and B-Form DNA
5. Toward an Understanding of the Drug−DNA Recognition Mechanism. Hydrogen-Bond Strength in Netropsin−DNA Complexes
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2. Molecular dynamics simulation studies for DNA sequence recognition by reactive metabolites of anticancer compounds;Journal of Molecular Recognition;2014-01-21
3. An ecofriendly synthesis and DNA binding interaction study of some pyrazolo [1,5-a]pyrimidines derivatives;Bioorganic & Medicinal Chemistry Letters;2012-12
4. Molecular Dynamics Study of the Role of the Spine of Hydration in DNA A-Tracts in Determining Nucleosome Occupancy;The Journal of Physical Chemistry B;2012-11-14
5. Melting Thermodynamics of Reversible DNA/Ligand Complexes at Interfaces;Journal of the American Chemical Society;2012-10-30
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