𝔖 Bobbio Scriptorium
✦   LIBER   ✦

On using oscillating time-dependent restraints in MD simulation

✍ Scribed by Bettina Keller; Markus Christen; Chris Oostenbrink; Wilfred F. van Gunsteren

Book ID
106401407
Publisher
Springer Netherlands
Year
2006
Tongue
English
Weight
533 KB
Volume
37
Category
Article
ISSN
0925-2738

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Time-dependent distance restraints in mo
Time-dependent distance restraints in molecular dynamics simulations
✍ Andrew E. Torda; Ruud M. Scheek; Wilfred F. van Gunsteren πŸ“‚ Article πŸ“… 1989 πŸ› Elsevier Science 🌐 English βš– 511 KB

A method for enforcing nuclear Overhauser effect (NOE) distance restraints in molecular dynamics simulations is presented. Rather than model the NOE distance as static, a term is included in the force field such that the distance restraint need only be satisfied as a (r-j} -'I3 weighted time average