A and B Comparing single amino acid frequencies (left), pairwise amino acid frequencies (center) and covariances (right) computed from natural sequences (Pfam alignment) and from Markov chain Monte Carlo (MCMC) samples generated from Markov random field (MRF) models trained with either pseudo-likelihood maximization (A) or persistent contrastive divergence (PCD) (B) for protein 1bkrA in the PSICOV dataset. C Mean precision of contacts, predicted as (APC corrected) L2 norm of pair couplings of a MRF trained with either pseudo-likelihood maximization or PCD. D Distribution of run times in minutes when learning MRF models with CCMpredPy (run on 4 cores). The median runtime in minutes with pseudo-likelihood is 7 minutes and with PCD is 43.5 min...
<div><p>Frequency in 1,000 trials plotted against percentage divergence.</p><p>(A) All alleles (repr...
Ignment (MSAs, with the sizes ranging between 20 and 100 sequences), mean pairwise amino acid distan...
<p>Curves are smoothed with a rolling average window of 5 residues. b) Number of contacts predicted ...
Maximum-likelihood (ML) learning of Markov random fields is challenging because it requires estima...
A For protein 1c9oA in the PSICOV data set the correction defined by the APC correlates well with th...
In models that define probabilities via energies, maximum likelihood learning typically involves usi...
Learning Markov random field (MRF) models is notoriously hard due to the presence of a global norm...
Contrastive Divergence (CD) and Persistent Con-trastive Divergence (PCD) are popular methods for tra...
(A) Schematic of the training procedure depicting how the native state is stabilized relative to oth...
Raw and corrected contact score matrices for protein 1c9oA. The gray scale indicates the contact sco...
In all three replicates the RMSD is still increasing at 500 ns, indicating that CmeC is not yet full...
Optimization based on k-step contrastive divergence (CD) has become a common way to train restricted...
An ongoing challenge in protein chemistry is to identify the underlying interaction energies that ca...
<p>The x-axis represents the number of contact predictions in relationship to the length of the prot...
An ongoing challenge in protein chemistry is to identify the underlying interaction energies that ca...
<div><p>Frequency in 1,000 trials plotted against percentage divergence.</p><p>(A) All alleles (repr...
Ignment (MSAs, with the sizes ranging between 20 and 100 sequences), mean pairwise amino acid distan...
<p>Curves are smoothed with a rolling average window of 5 residues. b) Number of contacts predicted ...
Maximum-likelihood (ML) learning of Markov random fields is challenging because it requires estima...
A For protein 1c9oA in the PSICOV data set the correction defined by the APC correlates well with th...
In models that define probabilities via energies, maximum likelihood learning typically involves usi...
Learning Markov random field (MRF) models is notoriously hard due to the presence of a global norm...
Contrastive Divergence (CD) and Persistent Con-trastive Divergence (PCD) are popular methods for tra...
(A) Schematic of the training procedure depicting how the native state is stabilized relative to oth...
Raw and corrected contact score matrices for protein 1c9oA. The gray scale indicates the contact sco...
In all three replicates the RMSD is still increasing at 500 ns, indicating that CmeC is not yet full...
Optimization based on k-step contrastive divergence (CD) has become a common way to train restricted...
An ongoing challenge in protein chemistry is to identify the underlying interaction energies that ca...
<p>The x-axis represents the number of contact predictions in relationship to the length of the prot...
An ongoing challenge in protein chemistry is to identify the underlying interaction energies that ca...
<div><p>Frequency in 1,000 trials plotted against percentage divergence.</p><p>(A) All alleles (repr...
Ignment (MSAs, with the sizes ranging between 20 and 100 sequences), mean pairwise amino acid distan...
<p>Curves are smoothed with a rolling average window of 5 residues. b) Number of contacts predicted ...