<p>(A, B, C) Distances between key atoms over the course of the string method pathway. (D) Potential of mean force as a function of collective variables used in the string method study.</p
<p>One-dimensional potential, in units of the dissociation energy , as a function of intermonomer ce...
We present an efficient algorithm for calculating the minimum energy path (MEP) and energy barriers ...
<p>Averaged distances between ions and heavy atoms from residues of loop domain (M313 to Y327) for C...
A computational technique is proposed which combines the string method with a sampling technique to ...
An improved and simplified version of the string method in collective variables for computing minimu...
The original formulation of the string method in collective variable space is compared with a recent...
International audienceWe report the calculation of the potential of mean force (PMF) of different ty...
Calculating protein-protein interaction energies is crucial for understanding protein-protein associ...
<p>Distance dependence of DFIRE and RW potentials for four representative atom pairs.</p
The original formulation of the string method in collective variable space is compared with a recent...
<p><b>.</b> The distance is defined as the positional change of residue Asn<sup>348</sup> along the...
Here we present a modified version of the on-the-fly string method for the localization of the minim...
Activated processes from chemical reactions up to conformational transitions of large biomolecules a...
a<p>All-atom statistical distance-based potential <a href="http://www.plosone.org/article/info:doi/1...
We have developed BLEEP (biomolecular ligand energy evaluation protocol), an atomic level potential ...
<p>One-dimensional potential, in units of the dissociation energy , as a function of intermonomer ce...
We present an efficient algorithm for calculating the minimum energy path (MEP) and energy barriers ...
<p>Averaged distances between ions and heavy atoms from residues of loop domain (M313 to Y327) for C...
A computational technique is proposed which combines the string method with a sampling technique to ...
An improved and simplified version of the string method in collective variables for computing minimu...
The original formulation of the string method in collective variable space is compared with a recent...
International audienceWe report the calculation of the potential of mean force (PMF) of different ty...
Calculating protein-protein interaction energies is crucial for understanding protein-protein associ...
<p>Distance dependence of DFIRE and RW potentials for four representative atom pairs.</p
The original formulation of the string method in collective variable space is compared with a recent...
<p><b>.</b> The distance is defined as the positional change of residue Asn<sup>348</sup> along the...
Here we present a modified version of the on-the-fly string method for the localization of the minim...
Activated processes from chemical reactions up to conformational transitions of large biomolecules a...
a<p>All-atom statistical distance-based potential <a href="http://www.plosone.org/article/info:doi/1...
We have developed BLEEP (biomolecular ligand energy evaluation protocol), an atomic level potential ...
<p>One-dimensional potential, in units of the dissociation energy , as a function of intermonomer ce...
We present an efficient algorithm for calculating the minimum energy path (MEP) and energy barriers ...
<p>Averaged distances between ions and heavy atoms from residues of loop domain (M313 to Y327) for C...
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