The folded native structure of a protein is highly sensitive towards the nature of solvent under specific environmental conditions. With the change of solvent’s physicochemical properties protein’s native structure can be disrupted. The use of cosolvent may also perturb protein stability. The primary objective of this thesis has been to obtain a microscopic understanding of the influence of cosolvent alcohols on the structure and dynamics of a protein. To achieve our goal, extensive molecular dynamics (MD) simulations of a protein Chymotrypsin Inhibitor 2 in water-alcohol binary mixtures were carried out with varying alcohol concentrations and temperatures. The thesis consists of six chapters. Chapter 1 provides a short account of the curre...
Molecular dynamics simulations of the DNA binding domain of 434 repressor are presented which aim at...
The focus of the PhD has been the investigation of the environmental effects on peptide and protein ...
Life as we know it today would not exist without proteins. The functions of proteins for us and othe...
<p>Molecular dynamics simulations were performed for the protein Chymotrypsin Inhibitor 2 in water–e...
It is well known that alcohols can have strong effects on protein structures. For example, monohydri...
One of the drawbacks of nonaqueous enzymology is the fact that enzymes tend to be less stable in org...
One of the drawbacks of nonaqueous enzymology is the fact that enzymes tend to be less stable in org...
We carry out a series of long atomistic molecular dynamics simulations to study the unfolding of a s...
Structural change of lysozyme in the aqueous mixture of ethanol (ETH) has been investigated using em...
We investigate the effects of solvent specificities on the stability of the native structure (NS) of...
We investigate the effects of solvent specificities on the stability of the native structure (NS) of...
We investigate the effects of solvent specificities on the stability of the native structure (NS) of...
We investigate the effects of solvent specificities on the stability of the native structure (NS) of...
We investigate the effects of solvent specificities on the stability of the native structure (NS) of...
We carry out a series of long atomistic molecular dynamics simulations to study the unfolding of a s...
Molecular dynamics simulations of the DNA binding domain of 434 repressor are presented which aim at...
The focus of the PhD has been the investigation of the environmental effects on peptide and protein ...
Life as we know it today would not exist without proteins. The functions of proteins for us and othe...
<p>Molecular dynamics simulations were performed for the protein Chymotrypsin Inhibitor 2 in water–e...
It is well known that alcohols can have strong effects on protein structures. For example, monohydri...
One of the drawbacks of nonaqueous enzymology is the fact that enzymes tend to be less stable in org...
One of the drawbacks of nonaqueous enzymology is the fact that enzymes tend to be less stable in org...
We carry out a series of long atomistic molecular dynamics simulations to study the unfolding of a s...
Structural change of lysozyme in the aqueous mixture of ethanol (ETH) has been investigated using em...
We investigate the effects of solvent specificities on the stability of the native structure (NS) of...
We investigate the effects of solvent specificities on the stability of the native structure (NS) of...
We investigate the effects of solvent specificities on the stability of the native structure (NS) of...
We investigate the effects of solvent specificities on the stability of the native structure (NS) of...
We investigate the effects of solvent specificities on the stability of the native structure (NS) of...
We carry out a series of long atomistic molecular dynamics simulations to study the unfolding of a s...
Molecular dynamics simulations of the DNA binding domain of 434 repressor are presented which aim at...
The focus of the PhD has been the investigation of the environmental effects on peptide and protein ...
Life as we know it today would not exist without proteins. The functions of proteins for us and othe...