𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Generalized-ensemble algorithms: enhanced sampling techniques for Monte Carlo and molecular dynamics simulations

✍ Scribed by Yuko Okamoto


Book ID
108181037
Publisher
Elsevier Science
Year
2004
Tongue
English
Weight
219 KB
Volume
22
Category
Article
ISSN
1093-3263

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Monte Carlo Simulation of Randomly Branc
✍ L. Tom Hillegers; Michael Kapnistos; Atze Nijenhuis; Johan J. M. Slot; Paul A. M πŸ“‚ Article πŸ“… 2011 πŸ› John Wiley and Sons 🌐 English βš– 749 KB

## Abstract A Monte Carlo simulation procedure has been set up and applied to generate representative ensembles of randomly branched step‐growth polymers based on their reaction recipe. The molecular distributions thus obtained are consistent with those from statistical/analytical approaches. Howev

Conformational sampling and ensemble gen
✍ Yaxiong Sun; Peter A. Kollman πŸ“‚ Article πŸ“… 1992 πŸ› John Wiley and Sons 🌐 English βš– 690 KB

## Abstract Using the crown ether 18‐crown‐6 as a test system, molecular dynamics has been evaluated as a technique for conformational searching and thermodynamic ensemble generation. By running a series of 200 ps and 2 ns simulations, an β€œoptimum” temperature range for conformational searching, i.