## Abstract The effects of hydrostatic pressure on the structure and stability of porcine odorantโbinding protein (pOBP) in the presence and absence of the odorant molecule 2โisobutylโ3โmethoxypyrazine (IBMP) were studied by steadyโstate and timeโresolved fluorescence spectroscopy as well as by mol
Molecular-Dynamics Simulation of the Effects of Methyl Rotation and Other Protein Motions on the NOE
โ Scribed by S.P. Edmondson
- Publisher
- Elsevier Science
- Year
- 1994
- Tongue
- English
- Weight
- 959 KB
- Volume
- 103
- Category
- Article
- ISSN
- 1064-1866
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๐ SIMILAR VOLUMES
We have carried out molecular dynamics simulation of the N-terminal domain of the repressor protein in a surrounding environment including explicit waters and ions. We observe two apparent dynamics substates in the nanosecond protein simulation, the transition occurring around 500 ps. The existence
In this article we present a quantitative evaluation of the convergence of the conformational coordinates of proteins, obtained by the Essential Dynamics method. Using a detailed analysis of long molecular dynamics trajectories in combination with a statistical assessment of the significance of the
The effect ofthymine lesions produced by radiation or oxidative damage on DNA structure was studied by molecular dynamics simulations ofnative and damaged DNA. Thymine in position 7 of native dodecamer d(CGCGAA TTCGCG)2 was replaced by one ofthe four thymine lesions 5-hydroxy-5,6-dihydrothymine, 6-h
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## Abstract The effect of the box shape on the dynamic behavior of proteins simulated under periodic boundary conditions is evaluated. In particular, the influence of simulation boxes defined by the nearโdensest lattice packing (NDLP) in conjunction with rotational constraints is compared to that o