Biomolecular simulations have become a major tool in understanding biomolecules and their complexes. However, one can typically only investigate a few mutants or scenarios due to the severe computational demands of such simulations, leading to a great interest in method development to overcome this restriction. One way to achieve this is to reduce the complexity of the systems by an approximation of the forces acting upon the constituents of the molecule. The harmonic approximation used in elastic network models simplifies the physical complexity to the most reduced dynamics of these molecular systems. The reduced polymer modeled this way is typically comprised of mass points representing coarse-grained versions of, e.g., amino acids. In th...
Proteins carry out a staggering number of functions within the human body and the biological world a...
Proteins are the media through which genetic information is expressed. They are involved in most if ...
We address the problem of triggering dissociation events between proteins that have formed a complex...
Biomolecular simulations have become a major tool in understanding biomolecules and their complexes....
Methods developed toward computational exploration of protein landscapes have become standardized to...
Dynamic Local Search [1] has been applied to the evolution of interactions between protein-like stru...
The validity and accuracy of protein modeling is dependent on constructing models that account for t...
Understanding the stability of the native state and the dynamics of a protein is of great importance...
Through their motion, proteins perform essential functions in the living cell. Although we cannot ob...
Normal mode analysis (NMA) methods are widely used to study dynamic aspects of protein structures. T...
AbstractWe have studied the effect of point mutations of the primary binding residue (P1) at the pro...
We explore the correlation between the energy landscape and topology in the folding of a model prote...
Recent analysis of the structures of a large number of proteins in their native state has demonstrat...
The primary structure of proteins, that is their sequence, represents one of the most abundant sets ...
AbstractWe develop a computationally efficient method to simulate the transition of a protein betwee...
Proteins carry out a staggering number of functions within the human body and the biological world a...
Proteins are the media through which genetic information is expressed. They are involved in most if ...
We address the problem of triggering dissociation events between proteins that have formed a complex...
Biomolecular simulations have become a major tool in understanding biomolecules and their complexes....
Methods developed toward computational exploration of protein landscapes have become standardized to...
Dynamic Local Search [1] has been applied to the evolution of interactions between protein-like stru...
The validity and accuracy of protein modeling is dependent on constructing models that account for t...
Understanding the stability of the native state and the dynamics of a protein is of great importance...
Through their motion, proteins perform essential functions in the living cell. Although we cannot ob...
Normal mode analysis (NMA) methods are widely used to study dynamic aspects of protein structures. T...
AbstractWe have studied the effect of point mutations of the primary binding residue (P1) at the pro...
We explore the correlation between the energy landscape and topology in the folding of a model prote...
Recent analysis of the structures of a large number of proteins in their native state has demonstrat...
The primary structure of proteins, that is their sequence, represents one of the most abundant sets ...
AbstractWe develop a computationally efficient method to simulate the transition of a protein betwee...
Proteins carry out a staggering number of functions within the human body and the biological world a...
Proteins are the media through which genetic information is expressed. They are involved in most if ...
We address the problem of triggering dissociation events between proteins that have formed a complex...