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Structural studies on DNA-binding drugs: crystal structure and molecular dynamics studies of triazoloacridinones

✍ Scribed by Arjunan, P. ;Arora, S. K. ;Chalody, W.


Book ID
111882223
Publisher
International Union of Crystallography
Year
1993
Tongue
English
Weight
550 KB
Volume
49
Category
Article
ISSN
0108-7681

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We carried out NPT ensemble classical molecular dynamics simulation of water in solid, liquid and gaseous state. The simulations were performed for two density cases-normal (r ΒΌ 1 g/cm 3 ) and lowered density (r ΒΌ 0:25 g/cm 3 ), for several values of temperature. The calculated structural and dynami