Folding transition-state and denatured-state ensembles of FSD-1 from folding and unfolding simulations

Article Abstract:

An investigation of the free-energy landscape of FSD-1 protein by a total of four sets of folding and unfolding molecular dynamics simulations with explicit solvent is conducted. Analyses revealed interesting nonnative interactions in the denatured-state ensemble and early-stage folding and the possibility that destabilization of these interactions could help to enhance the stability and folding rate of the protein.

Proteins

---

Fs-21 peptides can form both single helix-turn-helix

Article Abstract:

All atom molecular dynamic simulations are used to investigate the detailed folding processes and mechanisms of two alanine-based peptides, Fs-21 and MABA-Fs. The differences in their folding processes highlight the contribution of the bulky N-terminal MABA group and it was seen that helix-turn-helix conformation was the most stable state at 300 K, instead of the expected full helix conformation.

Science & research, Research, Peptides, Chemistry, Physical and theoretical, Physical chemistry, Alanine

---

Ab initio folding of albumin binding domain from all-atom molecular dynamics simulation

Article Abstract:

The AMBER FF03 all-atom force field (FF03) and a generalized-Born solvation model are used to obtain the folding mechanism of albumin binding domain (ABD) at higher accuracy. The folding of the three studied helix bundle protein followed a diffusion-collision process where substantial formation of the individual helices is critical and preceded the global packing.

Usage, Diffusion, Diffusion (Physics), Atomic force microscopy, Mechanical properties, Albumin, Chemical properties

Similar abstracts:

• Abstracts: Gas sorption and barrier properties of polymeric membranes from molecular dynamics and Monte Carlo simulations
• Abstracts: Describing protein folding kinetics by molecular dynamics simulations.1.theory. Describing protein folding kinetics by molecular dynamics simulations .2.example applications to alanine dipeptide and a beta-hairpin peptide
• Abstracts: Magnetically assisted and accelerated self-assembly of strawberry-like nano/microparticles. Metal-capped brownian and magnetically modulated optical nanoprobes (MOONs): micromechanics in chemical and biological microenvironments
• Abstracts: Investigating sorption on iron-oxyhydroxide soil minerals by solid-state NMR spectroscopy: A (super 6)Li MAS NMR study of adsorption and absorption on goethite
• Abstracts: Physiochemical and catalytic properties of copper ethylenediamine complex encapsulated in various zeolites. Probing the acid strength of Bronsted acidic zeolites with acetonitrile: Quantum chemical calculation of (super 1)H, (super 15)N, and (super 13)C NMR shift parameters

This website is not affiliated with document authors or copyright owners. This page is provided for informational purposes only. Unintentional errors are possible.