𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Combining molecular dynamics with Monte Carlo simulations: implementations and applications

✍ Scribed by Neyts, Erik C.; Bogaerts, Annemie

Book ID
120011013
Publisher
Springer
Year
2012
Tongue
English
Weight
501 KB
Volume
132
Category
Article
ISSN
1432-2234

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Hybrid Monte Carlo simulations theory an
Hybrid Monte Carlo simulations theory and initial comparison with molecular dynamics
✍ A. Brass; B. J. Pendleton; Y. Chen; B. Robson πŸ“‚ Article πŸ“… 1993 πŸ› Wiley (John Wiley & Sons) 🌐 English βš– 779 KB

## Abstract A formal partially dynamical approach to ergodic sampling, hybrid Monte Carlo, has been adapted for the first time from its proven application in quantum chromodynamics to realistic molecular systems. A series of simulations of pancreatic trypsin inhibitor were run using temperature‐res

Application of combined Monte Carlo and
Application of combined Monte Carlo and molecular dynamics method to simulation of dipalmitoyl phosphatidylcholine lipid bilayer
✍ Chiu, S. W.; Clark, M. M.; Jakobsson, Eric; Subramaniam, Shankar; Scott, H. Larr πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 324 KB πŸ‘ 2 views

We describe a new equilibration procedure for the atomic level simulation of a hydrated lipid bilayer. The procedure consists of alternating molecular dynamics trajectory calculations in a constant surface tension and temperature ensemble with configurational bias Monte Carlo moves to different regi

Mixed monte carlo/molecular dynamics sim
Mixed monte carlo/molecular dynamics simulations in explicit solvent
✍ AndrΓ© A. S. T. Ribeiro; Ricardo B. de Alencastro πŸ“‚ Article πŸ“… 2012 πŸ› John Wiley and Sons 🌐 English βš– 953 KB

## Abstract A mixed Monte Carlo/Molecular Dynamics method using the trial moves for peptide backbone sampling known as Concerted Rotations with Angles was implemented. The algorithm was used to study polyalanine systems. Equivalent results to conventional Molecular Dynamics were obtained for simula