This research presents a computational study of the dynamics of molecules in pure liquids, as well as its extension to the dynamics of water molecules associated with biological macromolecules. The results presented in this study advance the fundamental understanding of how molecules in liquids behave. The results presented also provide new insights into Magnetic Resonance Imaging properties of collagenous connective tissues, with applications in experimental and clinical radiology
Our understanding of the rich and complex motion of macromolecules has developed rapidly in recent y...
Magnetic resonance transverse spin relaxation\ud time constants (T<sub>2</sub>) of water protons in ...
Collagen represents the most abundant protein in the human body and plays an important role in conne...
The effects of hydration on the structure and dynamics of DNA oligomers and small proteins have been...
This thesis concerns different areas of molecular dynamics (MD) simulations. In the first part of th...
Dynamics of water molecules in hydrated collagen plays an important role in determining the structur...
This thesis investigates the restricted rotational and translational dynamics of water molecules as ...
The purpose of this thesis was to extend recent works on structure and dynamics of hydrogen bonded c...
Molecular Dynamics is a two-volume compendium of the ever-growing applications of molecular dynamics...
When a solute is dissolved into water, their mutual interactions determine the molecular properties ...
Water molecules play a significant role in biological process and are directly involved with bio-mol...
latter part originates in previous studies of the structure and dynamics of water. It was realized s...
Magnetic resonance transverse spin relaxation time constants (T2) of water protons in ordered collag...
We report the results of a 500 ps molecular dynamics simulation of the cytokine interleukin-lb, a pr...
Complex coacervation is a phenomenon characterized by the association of oppositely charged polyelec...
Our understanding of the rich and complex motion of macromolecules has developed rapidly in recent y...
Magnetic resonance transverse spin relaxation\ud time constants (T<sub>2</sub>) of water protons in ...
Collagen represents the most abundant protein in the human body and plays an important role in conne...
The effects of hydration on the structure and dynamics of DNA oligomers and small proteins have been...
This thesis concerns different areas of molecular dynamics (MD) simulations. In the first part of th...
Dynamics of water molecules in hydrated collagen plays an important role in determining the structur...
This thesis investigates the restricted rotational and translational dynamics of water molecules as ...
The purpose of this thesis was to extend recent works on structure and dynamics of hydrogen bonded c...
Molecular Dynamics is a two-volume compendium of the ever-growing applications of molecular dynamics...
When a solute is dissolved into water, their mutual interactions determine the molecular properties ...
Water molecules play a significant role in biological process and are directly involved with bio-mol...
latter part originates in previous studies of the structure and dynamics of water. It was realized s...
Magnetic resonance transverse spin relaxation time constants (T2) of water protons in ordered collag...
We report the results of a 500 ps molecular dynamics simulation of the cytokine interleukin-lb, a pr...
Complex coacervation is a phenomenon characterized by the association of oppositely charged polyelec...
Our understanding of the rich and complex motion of macromolecules has developed rapidly in recent y...
Magnetic resonance transverse spin relaxation\ud time constants (T<sub>2</sub>) of water protons in ...
Collagen represents the most abundant protein in the human body and plays an important role in conne...