This approach to protein simulation uses Protein Data Bank information to construct useful, simple, geometric constraints that can be applied to a protein simulation. We compiled experimental data for proteins with between 30-90 residues and analyzed the relationship between their sizes, defined as the radius of a sphere that encloses the 3D structure; the maximum distance between any two residues and the number of residues in the protein. A significant relationship was found and the analysis was used to predict the ranges that the size and maximum distance between residues would have for a protein with a given number of residues. These ranges were used to constrain folding from secondary structures for proteins IROP and IHDD and, using a r...
AbstractA new real space method, based on the principles of simulated annealing, is presented for de...
Motivated by recently developed computational techniques for studying protein flexibility, and their...
Exploration In this paper we propose a robotics-inspired method to enhance sampling of native-like c...
This approach to protein simulation uses Protein Data Bank information to construct useful, simple, ...
Molecular biology’s biggest challenge today is finding a way to accurately and quickly predict prote...
Molecular biology\u27s biggest challenge today is in finding a way to accurately and quickly predict...
Deriving the structure of a protein from only its DNA sequence is theoretically possible, but the co...
Molecular dynamics simulations, often combined with sim-ulated annealing, are commonly used when cal...
Background: The high demanding computational requirements necessary to carry out protein motion simu...
Computer simulations of biological systems provide novel data while both supporting and challenging ...
Understanding the structures of macromolecular assemblies is necessary to describe the mechanics of ...
Structural biology has allowed us expand our knowledge of living organisms. It is defined as the ...
The ability to efficiently sample structurally diverse protein conformations allows one to gain a hi...
Protein structure and motion plays an essential role in nearly all forms of life. Understanding both...
Motivated by recently developed computational techniques for studying protein flexibility, and their...
AbstractA new real space method, based on the principles of simulated annealing, is presented for de...
Motivated by recently developed computational techniques for studying protein flexibility, and their...
Exploration In this paper we propose a robotics-inspired method to enhance sampling of native-like c...
This approach to protein simulation uses Protein Data Bank information to construct useful, simple, ...
Molecular biology’s biggest challenge today is finding a way to accurately and quickly predict prote...
Molecular biology\u27s biggest challenge today is in finding a way to accurately and quickly predict...
Deriving the structure of a protein from only its DNA sequence is theoretically possible, but the co...
Molecular dynamics simulations, often combined with sim-ulated annealing, are commonly used when cal...
Background: The high demanding computational requirements necessary to carry out protein motion simu...
Computer simulations of biological systems provide novel data while both supporting and challenging ...
Understanding the structures of macromolecular assemblies is necessary to describe the mechanics of ...
Structural biology has allowed us expand our knowledge of living organisms. It is defined as the ...
The ability to efficiently sample structurally diverse protein conformations allows one to gain a hi...
Protein structure and motion plays an essential role in nearly all forms of life. Understanding both...
Motivated by recently developed computational techniques for studying protein flexibility, and their...
AbstractA new real space method, based on the principles of simulated annealing, is presented for de...
Motivated by recently developed computational techniques for studying protein flexibility, and their...
Exploration In this paper we propose a robotics-inspired method to enhance sampling of native-like c...