Journal article
Molecular dynamics simulations.
- Hansson T Laboratory of Physical Chemistry, Swiss Federal Institute of Technology Zürich, ETH-Hönggerberg, 8093, Zürich, Switzerland.
- Oostenbrink C
- van Gunsteren W
- 2002-04-18
Published in:
- Current opinion in structural biology. - 2002
Cell Membrane
Computer Simulation
Drug Design
Ion Channels
Models, Biological
Models, Molecular
Proteins
English
Molecular dynamics simulations have become a standard tool for the investigation of biomolecules. Simulations are performed of ever bigger systems using more realistic boundary conditions and better sampling due to longer sampling times. Recently, realistic simulations of systems as complex as transmembrane channels have become feasible. Simulations aid our understanding of biochemical processes and give a dynamic dimension to structural data; for example, the transformation of harmless prion protein into the disease-causing agent has been modeled.
- Language
-
- English
- Open access status
- closed
- Identifiers
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- DOI 10.1016/s0959-440x(02)00308-1
- PMID 11959496
- Persistent URL
- https://sonar.ch/global/documents/151968
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