<p>Each of the stacked barchart is relative to a different torsional angle. At each simulation step the structure is deformed by applying our algorithm to a randomly chosen portion of the chain (with probability 0.7) or by a pivot move (with probability 0.3). In the former case the step size <i>ds</i> is chosen from a normal distribution with mean 0 <i>rad</i> and variance 0.08 <i>rad</i><sup>2</sup>. In the latter case a randomly chosen <i>ϕ</i> or <i>ψ</i> angle is perturbed by adding to it a quantity that is chosen from a normal distribution with mean 0 <i>rad</i> and variance 0.4 <i>rad</i><sup>2</sup>.</p
Since the first attempts at modelling proteins, a large variety of simplified approximations have be...
In an effort to reduce the number of degrees of freedom necessary to describe a polypeptide chain we...
In the context of dynamic Monte Carlo simulations on a model protein confined to a tetrahedral latti...
We develop a new elementary move for simulations of polymer chains in torsion angle space. The metho...
We describe a general method to use Monte Carlo simulation followed by torsion-angle molecular dynam...
ABSTRACT: We compare folding trajectories of chymotrypsin inhibitor (CI2) using a dynamic Monte Carl...
Polypeptide random coil conformations of various chain lenghts (N = 5, 10, 20, 40, 80 peptide units)...
Abstract. Using the Maximum Entropy principle, we find probability distribution of torsion angles in...
From the Washington University Office of Undergraduate Research Digest (WUURD), Vol. 12, 05-01-2017....
ABSTRACT Statistical averages and correla-tions for backbone torsion angles of chymotrypsin inhibito...
Monte Carlo simulations are performed to study structure and dynamics of a protein CoVE in random me...
Torsion angles are the natural degrees of freedom of protein structures. The ability to determine to...
Abstract A statistical algorithm, capable of generating a large number of freely jointed hard sphere...
Normal mode methods are becoming a popular alternative to sample the conformational landscape of pro...
<p>The data obtained with the purely native-centric model are shown in red while those obtained with...
Since the first attempts at modelling proteins, a large variety of simplified approximations have be...
In an effort to reduce the number of degrees of freedom necessary to describe a polypeptide chain we...
In the context of dynamic Monte Carlo simulations on a model protein confined to a tetrahedral latti...
We develop a new elementary move for simulations of polymer chains in torsion angle space. The metho...
We describe a general method to use Monte Carlo simulation followed by torsion-angle molecular dynam...
ABSTRACT: We compare folding trajectories of chymotrypsin inhibitor (CI2) using a dynamic Monte Carl...
Polypeptide random coil conformations of various chain lenghts (N = 5, 10, 20, 40, 80 peptide units)...
Abstract. Using the Maximum Entropy principle, we find probability distribution of torsion angles in...
From the Washington University Office of Undergraduate Research Digest (WUURD), Vol. 12, 05-01-2017....
ABSTRACT Statistical averages and correla-tions for backbone torsion angles of chymotrypsin inhibito...
Monte Carlo simulations are performed to study structure and dynamics of a protein CoVE in random me...
Torsion angles are the natural degrees of freedom of protein structures. The ability to determine to...
Abstract A statistical algorithm, capable of generating a large number of freely jointed hard sphere...
Normal mode methods are becoming a popular alternative to sample the conformational landscape of pro...
<p>The data obtained with the purely native-centric model are shown in red while those obtained with...
Since the first attempts at modelling proteins, a large variety of simplified approximations have be...
In an effort to reduce the number of degrees of freedom necessary to describe a polypeptide chain we...
In the context of dynamic Monte Carlo simulations on a model protein confined to a tetrahedral latti...