Conformational stability and denaturation processes of proteins investigated by electrophoresis under extreme conditions
P Masson, S Lushchekina - Molecules, 2022 - mdpi.com
The functional structure of proteins results from marginally stable folded conformations.
Reversible unfolding, irreversible denaturation, and deterioration can be caused by …
Reversible unfolding, irreversible denaturation, and deterioration can be caused by …
Minimalist models for proteins: a comparative analysis
V Tozzini - Quarterly reviews of biophysics, 2010 - cambridge.org
The last decade has witnessed a renewed interest in the coarse-grained (CG) models for
biopolymers, also stimulated by the needs of modern molecular biology, dealing with nano …
biopolymers, also stimulated by the needs of modern molecular biology, dealing with nano …
[图书][B] Coarse-graining of condensed phase and biomolecular systems
GA Voth - 2008 - taylorfrancis.com
Exploring recent developments in the field, Coarse-Graining of Condensed Phase and
Biomolecular Systems examines systematic ways of constructing coarse-grained …
Biomolecular Systems examines systematic ways of constructing coarse-grained …
A novel side-chain orientation dependent potential derived from random-walk reference state for protein fold selection and structure prediction
Background An accurate potential function is essential to attack protein folding and structure
prediction problems. The key to developing efficient knowledge-based potential functions is …
prediction problems. The key to developing efficient knowledge-based potential functions is …
OPUS-PSP: an orientation-dependent statistical all-atom potential derived from side-chain packing
Here we report an orientation-dependent statistical all-atom potential derived from side-
chain packing, named OPUS-PSP. It features a basis set of 19 rigid-body blocks extracted …
chain packing, named OPUS-PSP. It features a basis set of 19 rigid-body blocks extracted …
Further optimization of a hybrid united-atom and coarse-grained force field for folding simulations: improved backbone hydration and interactions between charged …
W Han, K Schulten - Journal of chemical theory and computation, 2012 - ACS Publications
PACE, a hybrid force field that couples united-atom protein models with coarse-grained (CG)
solvent (J. Chem. Theory Comput. 2010, 6, 3373), has been further optimized, aiming to …
solvent (J. Chem. Theory Comput. 2010, 6, 3373), has been further optimized, aiming to …
Multiscale coarse-graining of the protein energy landscape
RD Hills Jr, L Lu, GA Voth - PLoS computational biology, 2010 - journals.plos.org
A variety of coarse-grained (CG) models exists for simulation of proteins. An outstanding
problem is the construction of a CG model with physically accurate conformational …
problem is the construction of a CG model with physically accurate conformational …
Dynamic asymmetry exposes 2019-nCoV prefusion spike
The novel coronavirus (2019-nCoV) spike protein is a smart molecular machine that
instigates the entry of coronavirus to the host cell causing the COVID-19 pandemic. In this …
instigates the entry of coronavirus to the host cell causing the COVID-19 pandemic. In this …
Theoretical and computational analysis of static and dynamic anomalies in water− DMSO binary mixture at low DMSO concentrations
Experiments have repeatedly observed both thermodynamic and dynamic anomalies in
aqueous binary mixtures, surprisingly at low solute concentration. Examples of such binary …
aqueous binary mixtures, surprisingly at low solute concentration. Examples of such binary …
Enhanced pair hydrophobicity in the water− dimethylsulfoxide (DMSO) binary mixture at low DMSO concentrations
We observe a surprisingly sharp increase in the pair hydrophobicity in the water−
dimethylsulfoxide (DMSO) binary mixture at small DMSO concentrations, with the mole …
dimethylsulfoxide (DMSO) binary mixture at small DMSO concentrations, with the mole …