Conformational relaxations of human serum albumin studied by molecular dynamics simulations with pressure jumps

• Published in: Вiopolymers and Cell
• Date: 2012
• Main Authors: Yesylevskyy, S.O., Hushcha, T.O.
• Format: Article
• Language: English
• Published: Інститут молекулярної біології і генетики НАН України 2012
• Subjects: Molecular Biophysics
• Online Access: https://nasplib.isofts.kiev.ua/handle/123456789/156856
• Journal Title: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Cite this: Conformational relaxations of human serum albumin studied by molecular dynamics simulations with pressure jumps / S.O. Yesylevskyy, T.O. Hushcha // Вiopolymers and Cell. — 2012. — Т. 28, № 6. — С. 486-492. — Бібліогр.: 29 назв. — англ.

Aim. In this work we developed a novel technique of obtaining the spectrum of conformational relaxations in a solvated protein using non-equilibrium molecular dynamics simulation. Methods. Structural relaxations in the protein are initiated by the abrupt jump of pressure in the NPT simulations. The...