𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Molecular basis of agonicity and antagonicity in the androgen receptor studied by molecular dynamics simulations

✍ Scribed by William H. Bisson; Ruben Abagyan; Claudio N. Cavasotto

Book ID
108181117
Publisher
Elsevier Science
Year
2008
Tongue
English
Weight
770 KB
Volume
27
Category
Article
ISSN
1093-3263

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Conformation of the Ras-binding domain o
Conformation of the Ras-binding domain of Raf studied by molecular dynamics and free energy simulations
✍ Jun Zeng; Herbert R. Treutlein; Thomas Simonson πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 693 KB

Recognition of Ras by its downstream target Raf is mediated by a Rasrecognition region in the Ras-binding domain (RBD) of Raf. Residues 78-89 in this region occupy two different conformations in the ensemble of NMR solution structures of the RBD: a fully ␣-helical one, and one where 87-90 form a typ

Dynamics of water molecules buried in ca
Dynamics of water molecules buried in cavities of apolipoprotein E studied by molecular dynamics simulations and continuum electrostatic calculations
✍ Martine PrΓ©vost πŸ“‚ Article πŸ“… 2004 πŸ› Wiley (John Wiley & Sons) 🌐 English βš– 444 KB πŸ‘ 2 views

## Abstract Molecular dynamics (MD) simulations of several nanoseconds each were used to monitor the dynamic behavior of the five crystal water molecules buried in the interior of the N‐terminal domain of apolipoprotein E. These crystal water molecules are fairly well conserved in several apolipopr

Comparative study of urea and tetramethy
Comparative study of urea and tetramethylurea in water by molecular dynamics simulations
✍ A. Tovchigrechko; M. Rodnikova; J. Barthel πŸ“‚ Article πŸ“… 1999 πŸ› Elsevier Science 🌐 English βš– 884 KB

The hydration of urea and tetrarnethylurea (TMU) is studied by molecular dynamics simulations. A perturbed structure of the H-bond network is shown in the hydration shell of urea around carbonyl oxygen, and an enhanced mobility of water is found in the region corresponding to the hydration of the ca

On the convergence of the conformational
On the convergence of the conformational coordinates basis set obtained by the essential dynamics analysis of proteins' molecular dynamics simulations
✍ Andrea Amadei; Marc A. Ceruso; Alfredo Di Nola πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 119 KB πŸ‘ 2 views

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