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The role of water structure in high pressure induced conformational changes of DNA

โœ Scribed by J. Barciszewski

Book ID
114362322
Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
77 KB
Volume
126
Category
Article
ISSN
1095-6433

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Molecular mechanisms of pressure induced
Molecular mechanisms of pressure induced conformational changes in BPTI
โœ Wroblowski, Berthold; Dรญaz, Josรฉ Fernando; Heremans, Karel; Engelborghs, Yves ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 949 KB

We have performed a 800 ps molecular dynamics simulation of bovine pancreatic trypsin inhibitor (BPTI) in water coupled to a pressure bath at 1, lO,OOO, 15,000, and 20,000 bar. The simulation reproduces quite well the experimental behavior of the protein under high pressure. The protein keeps its gl