Search
Abstract
For the last several tens of years, computer simulations have become of undeniable importance. Molecular Dynamics (MD) simulation techniques are used to examine the phenomena which occur at the level that cannot be observed directly. Thus, they can be successfully exploited in many different scientific fields such as: materials science, applied mathematics and theoretical physics, biochemistry, biophysics or drug design. Despite the increasing popularity of this technique, it is still subjected to some kind of restraint and distrust by many of scientists working with traditional methods. The aim of this paper is to show to what extent one can trust a computational simulation made with Molecular Dynamics technique by revealing both major advantages and limitations of this method.
Authors (3)
Cite as
Full text
full text is not available in portal
Keywords
Details
- Category:
- Monographic publication
- Type:
- rozdział, artykuł w książce - dziele zbiorowym /podręczniku w języku o zasięgu międzynarodowym
- Title of issue:
- PhD Interdisciplinary Journal. - No. 1 strony 24 - 28
- Language:
- English
- Publication year:
- 2012
- Bibliographic description:
- Miszkiel A., Wojciechowski M., Milewski S.: Molecular dynamics and verisimilitude - to what extent can one trust a computational simulation?// PhD Interdisciplinary Journal. - No. 1/ ed. ed. M. Czubenko. - Gdansk University of Technology. Gdańsk: , 2012, s.24-28
- Verified by:
- Gdańsk University of Technology
seen 97 times
Recommended for you
Keep It Flexible: Driving Macromolecular Rotary Motions in Atomistic Simulations with GROMACS
- C. Kutzner,
- J. Czub,
- H. Grubmüller