Complex regimes in simple methods of molecular dynamics of enzymes

Werner Ebeling; Yury M. Romanovsky; Y. Khurgin; Alexei V. Netrebko; Nina V. Netrebko; E. G. Shidlovskaya

doi:10.1117/12.197474

2 January 1995 Complex regimes in simple methods of molecular dynamics of enzymes

Werner Ebeling, Yury M. Romanovsky, Y. Khurgin, Alexei V. Netrebko, Nina V. Netrebko, E. G. Shidlovskaya

Proceedings Volume 2370, 5th International Conference on Laser Applications in Life Sciences; (1995) https://doi.org/10.1117/12.197474
Event: Laser Applications in Life Sciences: 5th International Conference, 1994, Minsk, Belarus

Abstract

Influence of intramolecular dynamic structure on the process of energy transfer from the place of original localization to the active site and processes in the active site of enzyme is under consideration. The possibility of realization of `marked' degrees of freedom when the system motion occurs in a narrow area of phase space was considered within the framework of a simplest cluster model of an enzyme molecule. Under certain conditions the motion of the system becomes complex and perhaps stochastic and the spectrum of oscillations becomes more rich. the role of the interaction potential curve shapes of the system is discussed. Problems of spectral transformation and complexization and characteristic times determination are important for interpretation of the data obtained by the methods of laser spectroscopy and CARS, in particular. We discuss the problem of overcoming the potential energy barrier inside the active site in terms of the location and energy of definite parts of the substrate within the framework of a 2D model. The special role of fluctuations of atom groups and the substrate influence on the process are taken into account.

Citation Download Citation

Werner Ebeling, Yury M. Romanovsky, Y. Khurgin, Alexei V. Netrebko, Nina V. Netrebko, and E. G. Shidlovskaya "Complex regimes in simple methods of molecular dynamics of enzymes", Proc. SPIE 2370, 5th International Conference on Laser Applications in Life Sciences, (2 January 1995); https://doi.org/10.1117/12.197474

ACCESS THE FULL ARTICLE

INSTITUTIONAL
Select your institution to access the SPIE Digital Library.

SELECT YOUR INSTITUTION

PERSONAL
Sign in with your SPIE account to access your personal subscriptions or to use specific features such as save to my library, sign up for alerts, save searches, etc.

PERSONAL SIGN IN

No SPIE Account? Create one

PURCHASE THIS CONTENT

SUBSCRIBE TO DIGITAL LIBRARY

50 downloads per 1-year subscription

Members: $195

Non-members: $335 ADD TO CART

25 downloads per 1 - year subscription

Members: $145

Non-members: $250 ADD TO CART

PURCHASE SINGLE ARTICLE

Includes PDF, HTML & Video, when available