Novel methods for molecular dynamics simulations.
In the past year, significant progress was made in the development of molecular dynamics methods for the liquid phase and for biological macromolecules. Specifically, faster algorithms to pursue molecular dynamics simulations were introduced and advances were made in the design of new optimization algorithms guided by molecular dynamics protocols. A technique to calculate the quantum spectra of protein vibrations was introduced.
Elber
R
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Department of Physical Chemistry and Biological Chemistry, Fritz Haber Research Center, Hebrew University, Jerusalem, Israel. ron@batata.fh.huji.ac.il
D000465:Algorithms; D003198:Computer Simulation; D046911:Macromolecular Substances; D008958:Models, Molecular; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry
D046911:Macromolecular Substances; D011506:Proteins