𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Lattice representations of globular proteins: How good are they?

✍ Scribed by Adam Godzik; Andrzej Kolinski; Jeffrey Skolnick

Publisher
John Wiley and Sons
Year
1993
Tongue
English
Weight
781 KB
Volume
14
Category
Article
ISSN
0192-8651

No coin nor oath required. For personal study only.

✦ Synopsis

Using a number of different lattice models of proteins, the problems introduced by the discretization of a protein backbone are discussed and examples of the most typical errors arising in low coordination number lattices presented. The geometric properties of different lattices used in the literature are compiled, and for all of them the resulting a-carbon models of proteins are described in detail and compared to the original structures obtained from experiment. 0 1993 by John Wiley & Sons, Inc.

JNTRODUCTION

Recently, simplified models of protein structure have become increasingly popular.' It is now clear that methods employing a detailed, all-atom description

πŸ“œ SIMILAR VOLUMES

Multiple time step algorithms for molecu
Multiple time step algorithms for molecular dynamics simulations of proteins: How good are they?
✍ GrubmοΏ½ller, Helmut; Tavan, Paul πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 396 KB πŸ‘ 1 views

We evaluate several multiple time step MTS molecular Ε½ . dynamics MD methods with respect to their suitability for protein dynamics simulations. In contrast to the usual check of conservation of total energy or comparisons of trajectory details, we chose a problem-oriented approach and selected a se