Flexibility of monomeric and dimeric HIV-I protease
Article Abstract:
The flexibility and stability of both monomeric and dimeric HIV-I PR (protease) are explored by 100 ns implicit solvent molecular dynamics simulation at 350 K with the aim to correlate the monomer stability with the dimerization mechanism. The partial stability of the monomer together with the flexibility of its termini suggests that the HIV-I PR is not a two-state dimer, but a three-state dimer with a marginally stable monomeric intermediate.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2003
User Contributions:
Comment about this article or add new information about this topic:
A Monte Carlo study of weak polyampholytes: Stiffness and primary structure influences on titration curves and chain conformations
Article Abstract:
Monte Carlo simulations are used for examining the influence of stiffness and primary structure on the conformation and titration curves of weak polyampholytes. It is shown that the primary structure plays a vital role in the acid/base properties as well as the charge distribution along the polymer backbone of a statistical rod-like polyampholyte.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
User Contributions:
Comment about this article or add new information about this topic:
Flexibility, conformation spaces, and bioactivity
Article Abstract:
A new conceptual framework is presented for discussing and quantifying the bioactivity of flexible molecules.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2000
User Contributions:
Comment about this article or add new information about this topic:
- Abstracts: Effects of an amphiphilic graft copolymer on an oil-continuous microemulsion. Viscosity, droplet size, and phase behavior
- Abstracts: Electrostatic interactions of a neutral dipolar solute with a fused salt: A new model for solvation in ionic liquids
- Abstracts: Analysis of glass transition behavior of polymer-salt complexes: an extended configuration entropy model. Ornstein-Zernike random-walk approach for polymers
- Abstracts: Freezing of charge-stabilized colloidal dispersions. Performance evaluation of third-order thermodynamic perturbation theory and comparison with existing liquid state theories
- Abstracts: Compositional gradients and electron flux in ion-blocked multivalent redox polymers and polymer bilayers: a theoretical consideration