Fortgeschrittene Molekulardynamik II
<setdata> date=t.b.a. topic=Fortgeschrittene Molekulardynamik II: Überschreiten von Barrieren in der freien Energie tutor=Stefan Kesselheim </setdata>
- "{{{number}}}" is not a number.
- Date
- {{{date}}}"{{{date}}}" contains an extrinsic dash or other characters that are invalid for a date interpretation.
- Topic
- {{{topic}}}
- Speaker
- {{{speaker}}}
Literatur
-
Daan Frenkel, Berend Smit.
Understanding Molecular Simulation: From Algorithms to Applications.
Part of Computational Science, volume 1. Edition 2.
Academic Press, San Diego, 2002. ISBN: 978-0-12-267351-1.
[DOI]
- Chapter 7'
-
Yuji Sugita, Yuko Okamoto.
Replica-exchange molecular dynamics method for protein folding.
Chemical Physics Letters 314(1–2):141–151, 1999.
[DOI]
Gliederungsvorschlag
- 1 Problemstellung
- 2 Umbrella Sampling
- 3 Replica Exchange Molecular Dynamics
- 4 Anwendungen