𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Editorial on molecular dynamics simulations

✍ Scribed by Eaton E. Lattman


Publisher
John Wiley and Sons
Year
2001
Tongue
English
Weight
25 KB
Volume
42
Category
Article
ISSN
0887-3585

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πŸ“œ SIMILAR VOLUMES


Molecular dynamics simulations of xDNA
✍ Mathew K. Varghese; Renjith Thomas; N. V. Unnikrishnan; C. Sudarsanakumar πŸ“‚ Article πŸ“… 2009 πŸ› Wiley (John Wiley & Sons) 🌐 English βš– 394 KB
Molecular dynamics simulations of biomem
✍ G. Vergoten πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 119 KB πŸ‘ 2 views

A molecular force field dedicated to molecular dynamics simulation of biomembranes was developed. It was parameterized on model compounds related to phospholipids and was able to reproduce at the same time structures, energies, and vibrational spectra. Cross terms in the potential energy function we

Molecular dynamics simulations of Ξ²-hair
✍ Hongwu Wang; Judith Varady; Lily Ng; Shen-Shu Sung πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 252 KB πŸ‘ 1 views

Molecular dynamics simulations of ␀-hairpin folding have been carried out with a solvent-referenced potential at 274 K. The model peptide V 4 D PGV 4 formed stable ␀-hairpin conformations and the ␀-hairpin ratio calculated by the DSSP algorithm was about 56% in the 50-ns simulation. Folding into ␀-h

Molecular dynamics simulations of HPr un
✍ Muriel Canalia; ThΓ©rΓ¨se E. Malliavin πŸ“‚ Article πŸ“… 2004 πŸ› Wiley (John Wiley & Sons) 🌐 English βš– 381 KB

## Abstract The histidine‐containing protein (HPr) plays an important role in the phosphotransferase system (PTS). The deformations induced on the protein structure at high hydrostatic pressure values (4, 50, 100, 150, and 200 MPa) were previously (H. Kalbitzer, A. GΓΆrler, H. Li, P. Dubovskii, A. H

Study of the electrostatics treatment in
✍ Robert Garemyr; Arne Elofsson πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 355 KB πŸ‘ 2 views

This article considers the treatment of long-range interactions in molecular dynamics simulations. We investigate the effects of using different cutoff distances, constant versus distancedependent dielectric, and different smoothing methods. In contrast to findings of earlier studies, we find that i

Computer simulations of protein folding
✍ Philippe Ferrara; Joannis Apostolakis; Amedeo Caflisch πŸ“‚ Article πŸ“… 2000 πŸ› John Wiley and Sons 🌐 English βš– 362 KB πŸ‘ 1 views

We have performed 128 folding and 45 unfolding molecular dynamics runs of chymotrypsin inhibitor 2 (CI2) with an implicit solvation model for a total simulation time of 0.4 microseconds. Folding requires that the three-dimensional structure of the native state is known. It was simulated at 300 K by