Three-body Interactions Improve the Prediction of Rate and Mechanism in Protein Folding Models

Details Three-body Interactions Improve the Prediction of Rate and Mechanism in Protein Folding Models Three-body Interactions Improve the Prediction of Rate and Mechanism in Protein Folding Models

2004-07-14

arxiv.org/abs/q-bio/0407019v1

Biology

Quantitative Biology

Quantitative Methods

9 pages, 2 tables and 5 figures

Scientific paper

10.1073/pnas.0403486101

Here we study the effects of many-body interactions on rate and mechanism in protein folding, using the results of molecular dynamics simulations on numerous coarse-grained C-alpha-model single-domain proteins. After adding three-body interactions explicitly as a perturbation to a Go-like Hamiltonian with native pair-wise interactions only, we have found 1) a significantly increased correlation with experimental phi-values and folding rates, 2) a stronger correlation of folding rate with contact order, matching the experimental range in rates when the fraction of three-body energy in the native state is ~ 20%, and 3) a considerably larger amount of 3-body energy present in Chymotripsin inhibitor than other proteins studied.

Affiliated with

Also associated with

No associations

Rating

Three-body Interactions Improve the Prediction of Rate and Mechanism in Protein Folding Models does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Three-body Interactions Improve the Prediction of Rate and Mechanism in Protein Folding Models, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Three-body Interactions Improve the Prediction of Rate and Mechanism in Protein Folding Models will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-335481