Simulations of the residual configurational entropy of a protein in the native state suggest that it is nearly an order of magnitude larger than the entropy of denaturation. The implications of this result are discussed
Many pairwise additive force fields are in active use for intrinsically disordered proteins (IDPs) a...
YesMolecular dynamics (MD) simulations contain considerable information with regard to the motions a...
[[abstract]]We developed a technique to compute structural entropy directly from protein sequences. ...
Simulations of the residual configurational entropy of a protein in the native state suggest that it...
Estimation of configurational entropy from molecular dynamics trajectories is a difficult task which...
In this article, it is investigated whether vibrational entropy (VE) is an important contribution to...
Configurational entropy change is a central constituent of the free energy change in noncovalent int...
The recently developed NMR techniques enable estimation of protein configurational entropy change fr...
Estimation of configurational entropy from molecular dynamics trajectories is a difficult task which...
The configurational entropy of solute molecules is a crucially important quantity to study various b...
The configurational entropy of solute molecules is a crucially important quantity to study various b...
Quantifying how the rugged nature of the underlying free-energy landscape determines the entropic co...
We present entropy estimates based on molecular dynamics simulations of models of the molten globule...
We present entropy estimates based on molecular dynamics simulations of models of the molten globule...
AbstractWe show that even in the complete absence of potential energies among the atoms in a protein...
Many pairwise additive force fields are in active use for intrinsically disordered proteins (IDPs) a...
YesMolecular dynamics (MD) simulations contain considerable information with regard to the motions a...
[[abstract]]We developed a technique to compute structural entropy directly from protein sequences. ...
Simulations of the residual configurational entropy of a protein in the native state suggest that it...
Estimation of configurational entropy from molecular dynamics trajectories is a difficult task which...
In this article, it is investigated whether vibrational entropy (VE) is an important contribution to...
Configurational entropy change is a central constituent of the free energy change in noncovalent int...
The recently developed NMR techniques enable estimation of protein configurational entropy change fr...
Estimation of configurational entropy from molecular dynamics trajectories is a difficult task which...
The configurational entropy of solute molecules is a crucially important quantity to study various b...
The configurational entropy of solute molecules is a crucially important quantity to study various b...
Quantifying how the rugged nature of the underlying free-energy landscape determines the entropic co...
We present entropy estimates based on molecular dynamics simulations of models of the molten globule...
We present entropy estimates based on molecular dynamics simulations of models of the molten globule...
AbstractWe show that even in the complete absence of potential energies among the atoms in a protein...
Many pairwise additive force fields are in active use for intrinsically disordered proteins (IDPs) a...
YesMolecular dynamics (MD) simulations contain considerable information with regard to the motions a...
[[abstract]]We developed a technique to compute structural entropy directly from protein sequences. ...
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